CID 513065

Ara-c-3'-p

Structural Information

Molecular Formula
C9H16N3O8P
SMILES
C1=CN(C(=O)NC1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4-8,13-14H,3,10H2,(H,11,15)(H2,16,17,18)/t4-,5?,6-,7+,8-/m1/s1
InChIKey
NMMGLUCLJUYUCQ-RYXNKOGWSA-N
Compound name
[(2R,3S,4S,5R)-5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0675 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07478 169.1
[M+Na]+ 348.05672 173.2
[M-H]- 324.06022 165.7
[M+NH4]+ 343.10132 177.0
[M+K]+ 364.03066 172.4
[M+H-H2O]+ 308.06476 160.1
[M+HCOO]- 370.06570 184.2
[M+CH3COO]- 384.08135 198.1
[M+Na-2H]- 346.04217 166.6
[M]+ 325.06695 164.3
[M]- 325.06805 164.3
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

No patent data available for this compound.