CID 49866637

Amp(1+)

Structural Information

Molecular Formula
C10H15N5O7P
SMILES
C1=[N+](C2=NC=NC(=C2N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H4,11,12,13,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
UBYZUTJNKIGNJS-KQYNXXCUSA-O
Compound name
[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.07092 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07820 171.7
[M+Na]+ 371.06014 178.1
[M-H]- 347.06364 169.2
[M+NH4]+ 366.10474 178.7
[M+K]+ 387.03408 171.2
[M+H-H2O]+ 331.06818 165.0
[M+HCOO]- 393.06912 187.8
[M+CH3COO]- 407.08477 194.2
[M+Na-2H]- 369.04559 175.3
[M]+ 348.07037 169.5
[M]- 348.07147 169.5
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

No patent data available for this compound.