CID 453028

3'-o-mesyl-5'-o-trityl-fmau

Structural Information

Molecular Formula
C30H29FN2O7S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OS(=O)(=O)C)F
InChI
InChI=1S/C30H29FN2O7S/c1-20-18-33(29(35)32-27(20)34)28-25(31)26(40-41(2,36)37)24(39-28)19-38-30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,24-26,28H,19H2,1-2H3,(H,32,34,35)/t24-,25+,26-,28-/m1/s1
InChIKey
UAARHHOLHGXMMT-IYOUEGCASA-N
Compound name
[(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

580.16797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.17525 236.5
[M+Na]+ 603.15719 242.6
[M-H]- 579.16069 248.0
[M+NH4]+ 598.20179 236.2
[M+K]+ 619.13113 238.1
[M+H-H2O]+ 563.16523 224.6
[M+HCOO]- 625.16617 245.0
[M+CH3COO]- 639.18182 247.9
[M+Na-2H]- 601.14264 235.6
[M]+ 580.16742 239.9
[M]- 580.16852 239.9
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.