CID 66764086

2'-ome-ac-c phosphoramidite

Structural Information

Molecular Formula
C42H52N5O9P
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=CC(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46-25-23-37(44-30(5)48)45-41(46)49)27-53-42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,(H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1
InChIKey
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
Compound name
N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

801.3503 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.35758 276.4
[M+Na]+ 824.33952 273.7
[M-H]- 800.34302 283.6
[M+NH4]+ 819.38412 266.3
[M+K]+ 840.31346 274.5
[M+H-H2O]+ 784.34756 253.6
[M+HCOO]- 846.34850 287.9
[M+CH3COO]- 860.36415 304.5
[M+Na-2H]- 822.32497 304.4
[M]+ 801.34975 278.5
[M]- 801.35085 278.5
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

patents stripe