CID 394300

Nsc697667

Structural Information

Molecular Formula
C11H17N7O
SMILES
C1C[C@H](C[C@H]1CN2C3=NC(=NC(=C3N=N2)N)N)CO
InChI
InChI=1S/C11H17N7O/c12-9-8-10(15-11(13)14-9)18(17-16-8)4-6-1-2-7(3-6)5-19/h6-7,19H,1-5H2,(H4,12,13,14,15)/t6-,7+/m0/s1
InChIKey
NHYHHQFGWUUBRE-NKWVEPMBSA-N
Compound name
[(1R,3S)-3-[(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14944 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15672 158.5
[M+Na]+ 286.13866 168.0
[M-H]- 262.14216 159.1
[M+NH4]+ 281.18326 171.8
[M+K]+ 302.11260 163.2
[M+H-H2O]+ 246.14670 149.0
[M+HCOO]- 308.14764 176.9
[M+CH3COO]- 322.16329 168.9
[M+Na-2H]- 284.12411 160.5
[M]+ 263.14889 156.4
[M]- 263.14999 156.4
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.