CID 460882

Cytidine-sr141060a deriv.

Structural Information

Molecular Formula
C67H82N8O9Si
SMILES
CC(C)C[C@@H]([C@H](CC(=O)NC(CC1=CC=CC=C1)C2=CC=CC=C2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CCC(=O)NC5=NC(=O)N(C=C5)[C@H]6CC[C@H](O6)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C
InChI
InChI=1S/C67H82N8O9Si/c1-44(2)38-55(57(76)41-61(79)69-54(47-24-14-9-15-25-47)39-46-22-12-8-13-23-46)71-65(81)63(45(3)4)74-64(80)56(40-48-42-68-53-31-21-20-30-52(48)53)70-59(77)33-34-60(78)72-58-36-37-75(66(82)73-58)62-35-32-49(84-62)43-83-85(67(5,6)7,50-26-16-10-17-27-50)51-28-18-11-19-29-51/h8-31,36-37,42,44-45,49,54-57,62-63,68,76H,32-35,38-41,43H2,1-7H3,(H,69,79)(H,70,77)(H,71,81)(H,74,80)(H,72,73,78,82)/t49-,54?,55-,56-,57-,62+,63-/m0/s1
InChIKey
FILZKLPJKHLTQB-JEVNOSJQSA-N
Compound name
N-[1-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-N'-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-(1,2-diphenylethylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1170.5974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1171.6047 306.2
[M+Na]+ 1193.5866 314.1
[M-H]- 1169.5901 314.2
[M+NH4]+ 1188.6312 312.3
[M+K]+ 1209.5606 305.7
[M+H-H2O]+ 1153.5947 280.5
[M+HCOO]- 1215.5956 311.9
[M+CH3COO]- 1229.6113 313.4
[M+Na-2H]- 1191.5721 332.0
[M]+ 1170.5969 359.1
[M]- 1170.5979 359.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.