CID 102276

5-methyldeoxycytidine 5'-phosphate

Structural Information

Molecular Formula
C10H16N3O7P
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
RGDVNLHBCKWZDA-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

606
Patents

321.0726 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07988 168.6
[M+Na]+ 344.06182 175.2
[M+NH4]+ 339.10642 170.4
[M+K]+ 360.03576 177.9
[M-H]- 320.06532 166.8
[M+Na-2H]- 342.04727 168.0
[M]+ 321.07205 168.2
[M]- 321.07315 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe