CID 494853

Nsc633965

Structural Information

Molecular Formula
C16H19N2O7P
SMILES
C1C[C@H](O[C@H]1COP(=O)(O)O)N2C=C(C(=O)NC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N2O7P/c19-15-12(8-11-4-2-1-3-5-11)9-18(16(20)17-15)14-7-6-13(25-14)10-24-26(21,22)23/h1-5,9,13-14H,6-8,10H2,(H,17,19,20)(H2,21,22,23)/t13-,14+/m1/s1
InChIKey
PCRPVAVJNHMKEI-KGLIPLIRSA-N
Compound name
[(2R,5S)-5-(5-benzyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.093 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10028 183.9
[M+Na]+ 405.08222 189.6
[M-H]- 381.08572 187.0
[M+NH4]+ 400.12682 190.9
[M+K]+ 421.05616 187.3
[M+H-H2O]+ 365.09026 172.8
[M+HCOO]- 427.09120 203.5
[M+CH3COO]- 441.10685 208.5
[M+Na-2H]- 403.06767 183.1
[M]+ 382.09245 184.3
[M]- 382.09355 184.3
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.