CID 6479393

(1r,2s,3r,5r)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(aminomethyl)cyclopentane-1,2-diol

Structural Information

Molecular Formula
C12H17N5O2
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O)CN
InChI
InChI=1S/C12H17N5O2/c13-4-6-3-8(11(19)10(6)18)17-5-16-9-7(17)1-2-15-12(9)14/h1-2,5-6,8,10-11,18-19H,3-4,13H2,(H2,14,15)/t6-,8-,10-,11+/m1/s1
InChIKey
LFMZHWQIXHERRD-IALJFVCMSA-N
Compound name
(1R,2S,3R,5R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(aminomethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.1382 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 157.5
[M+Na]+ 286.12742 166.8
[M-H]- 262.13092 159.6
[M+NH4]+ 281.17202 173.0
[M+K]+ 302.10136 161.9
[M+H-H2O]+ 246.13546 149.9
[M+HCOO]- 308.13640 176.9
[M+CH3COO]- 322.15205 168.5
[M+Na-2H]- 284.11287 158.3
[M]+ 263.13765 154.7
[M]- 263.13875 154.7
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.