CID 513060

Anhydro-ara-c-3'-p

Structural Information

Molecular Formula
C9H15N3O7P
SMILES
C1=C[N+](=CN=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
InChI
InChI=1S/C9H14N3O7P/c10-6-1-2-12(4-11-6)9-7(14)8(5(3-13)18-9)19-20(15,16)17/h1-2,4-5,7-10,13-14H,3H2,(H2,15,16,17)/p+1/t5-,7+,8-,9-/m1/s1
InChIKey
VFVMTPSACYRMQK-VCGXYPBASA-O
Compound name
[(2R,3S,4S,5R)-5-(4-aminopyrimidin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.06476 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07204 163.7
[M+Na]+ 331.05398 169.2
[M-H]- 307.05748 162.6
[M+NH4]+ 326.09858 172.9
[M+K]+ 347.02792 162.9
[M+H-H2O]+ 291.06202 157.0
[M+HCOO]- 353.06296 182.7
[M+CH3COO]- 367.07861 187.9
[M+Na-2H]- 329.03943 167.4
[M]+ 308.06421 160.9
[M]- 308.06531 160.9
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.