CID 15081829

5-formyl-2'-deoxy-cytidine-5'-monophosphate

Structural Information

Molecular Formula
C10H14N3O8P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey
HDFNXAHZEYLDBJ-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-5-formyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.05185 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05913 168.6
[M+Na]+ 358.04107 175.4
[M-H]- 334.04457 168.7
[M+NH4]+ 353.08567 177.6
[M+K]+ 374.01501 175.0
[M+H-H2O]+ 318.04911 159.0
[M+HCOO]- 380.05005 189.5
[M+CH3COO]- 394.06570 203.3
[M+Na-2H]- 356.02652 168.3
[M]+ 335.05130 169.8
[M]- 335.05240 169.8
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

patents stripe