CID 511225

184031-62-7

Structural Information

Molecular Formula
C21H24N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N3CCC[C@H]3C(=O)O)OC4=CC=CC=C4
InChI
InChI=1S/C21H24N3O8P/c1-14-12-23(21(28)22-19(14)25)18-10-9-16(31-18)13-30-33(29,32-15-6-3-2-4-7-15)24-11-5-8-17(24)20(26)27/h2-4,6-7,9-10,12,16-18H,5,8,11,13H2,1H3,(H,26,27)(H,22,25,28)/t16-,17-,18+,33?/m0/s1
InChIKey
QRKPZXUYBIHGDX-RATYACGJSA-N
Compound name
(2S)-1-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1301 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.13738 202.5
[M+Na]+ 500.11932 206.0
[M-H]- 476.12282 209.0
[M+NH4]+ 495.16392 206.0
[M+K]+ 516.09326 205.1
[M+H-H2O]+ 460.12736 190.7
[M+HCOO]- 522.12830 220.3
[M+CH3COO]- 536.14395 228.6
[M+Na-2H]- 498.10477 197.2
[M]+ 477.12955 203.7
[M]- 477.13065 203.7
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.