CID 475370

Methyl, 3'-azido-2',3'-dideoxythymidine-5'-(methoxyphosphoryl)formate

Structural Information

Molecular Formula
C13H18N5O7PS
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(C(=O)OC)OC)N=[N+]=[N-]
InChI
InChI=1S/C13H18N5O7PS/c1-7-5-18(12(20)15-11(7)19)10-4-8(16-17-14)9(25-10)6-24-26(27,23-3)13(21)22-2/h5,8-10H,4,6H2,1-3H3,(H,15,19,20)/t8-,9+,10+,26?/m0/s1
InChIKey
OVYMEWNRSGBJOQ-RBNARBKTSA-N
Compound name
methyl [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphinothioyl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.06647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07375 186.3
[M+Na]+ 442.05569 191.4
[M-H]- 418.05919 192.1
[M+NH4]+ 437.10029 194.4
[M+K]+ 458.02963 185.6
[M+H-H2O]+ 402.06373 179.9
[M+HCOO]- 464.06467 210.1
[M+CH3COO]- 478.08032 220.7
[M+Na-2H]- 440.04114 190.1
[M]+ 419.06592 189.4
[M]- 419.06702 189.4
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.