CID 464194

Cf-864

Structural Information

Molecular Formula
C23H30N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CC(C)C)C(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C23H30N3O8P/c1-15(2)12-19(22(28)31-4)25-35(30,34-17-8-6-5-7-9-17)32-14-18-10-11-20(33-18)26-13-16(3)21(27)24-23(26)29/h5-11,13,15,18-20H,12,14H2,1-4H3,(H,25,30)(H,24,27,29)/t18-,19-,20+,35?/m0/s1
InChIKey
RJNJLNSMOSAGFS-AARGZYGYSA-N
Compound name
methyl (2S)-4-methyl-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

507.17706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.18434 215.5
[M+Na]+ 530.16628 217.8
[M-H]- 506.16978 220.9
[M+NH4]+ 525.21088 218.1
[M+K]+ 546.14022 218.1
[M+H-H2O]+ 490.17432 202.9
[M+HCOO]- 552.17526 235.6
[M+CH3COO]- 566.19091 241.8
[M+Na-2H]- 528.15173 211.4
[M]+ 507.17651 221.3
[M]- 507.17761 221.3
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.