CID 452105

122624-83-3

Structural Information

Molecular Formula
C10H13N7O
SMILES
C1[C@@H](C=C[C@@H]1N2C3=NC(=NC(=C3N=N2)N)N)CO
InChI
InChI=1S/C10H13N7O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h1-2,5-6,18H,3-4H2,(H4,11,12,13,14)/t5-,6+/m1/s1
InChIKey
LLFPEISXMFXSKQ-RITPCOANSA-N
Compound name
[(1S,4R)-4-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

247.11816 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12544 152.9
[M+Na]+ 270.10738 163.9
[M-H]- 246.11088 154.2
[M+NH4]+ 265.15198 166.9
[M+K]+ 286.08132 159.0
[M+H-H2O]+ 230.11542 143.7
[M+HCOO]- 292.11636 173.1
[M+CH3COO]- 306.13201 164.3
[M+Na-2H]- 268.09283 156.5
[M]+ 247.11761 151.9
[M]- 247.11871 151.9
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

patents stripe