CID 440189

5-hydroxymethyldeoxycytidylate(2-)

Structural Information

Molecular Formula
C10H16N3O8P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O
InChI
InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey
BTIWPBKNTZFNRI-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

446
Patents

337.0675 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07478 171.6
[M+Na]+ 360.05672 177.1
[M+NH4]+ 355.10132 172.4
[M+K]+ 376.03066 180.7
[M-H]- 336.06022 168.8
[M+Na-2H]- 358.04217 169.9
[M]+ 337.06695 170.6
[M]- 337.06805 170.6
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