CID 5272115

115365-16-7

Structural Information

Molecular Formula
C15H22ClN2O9P
SMILES
CCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O
InChI
InChI=1S/C15H22ClN2O9P/c1-3-25-15(22)28(23,24-2)26-8-11-10(19)6-12(27-11)18-7-9(4-5-16)13(20)17-14(18)21/h7,10-12,19H,3-6,8H2,1-2H3,(H,17,20,21)/t10-,11+,12+,28?/m0/s1
InChIKey
GKQLMJCSNQNSIG-GGXOJJSBSA-N
Compound name
ethyl [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.07513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08241 189.4
[M+Na]+ 463.06435 196.1
[M-H]- 439.06785 191.1
[M+NH4]+ 458.10895 196.6
[M+K]+ 479.03829 195.1
[M+H-H2O]+ 423.07239 180.4
[M+HCOO]- 485.07333 205.0
[M+CH3COO]- 499.08898 220.4
[M+Na-2H]- 461.04980 187.2
[M]+ 440.07458 198.3
[M]- 440.07568 198.3
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.