CID 6481842

5(e)-styryl-dump

Structural Information

Molecular Formula
C17H19N2O8P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3)COP(=O)(O)O)O
InChI
InChI=1S/C17H19N2O8P/c20-13-8-15(27-14(13)10-26-28(23,24)25)19-9-12(16(21)18-17(19)22)7-6-11-4-2-1-3-5-11/h1-7,9,13-15,20H,8,10H2,(H,18,21,22)(H2,23,24,25)/b7-6+/t13-,14+,15+/m0/s1
InChIKey
YXNVTSYUQXXDKL-XIKIYNFVSA-N
Compound name
[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-2-phenylethenyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.0879 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09518 190.5
[M+Na]+ 433.07712 196.0
[M-H]- 409.08062 192.5
[M+NH4]+ 428.12172 195.7
[M+K]+ 449.05106 193.1
[M+H-H2O]+ 393.08516 179.5
[M+HCOO]- 455.08610 208.5
[M+CH3COO]- 469.10175 212.0
[M+Na-2H]- 431.06257 188.5
[M]+ 410.08735 190.4
[M]- 410.08845 190.4
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.