CID 3006957

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

Structural Information

Molecular Formula
C12H15BrN4O2
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O)CBr
InChI
InChI=1S/C12H15BrN4O2/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,3-4H2,(H2,14,15)/t6-,8-,10-,11+/m1/s1
InChIKey
DEWZLIUEUUGPFL-IALJFVCMSA-N
Compound name
(1R,2S,3R,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(bromomethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.03784 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04512 166.1
[M+Na]+ 349.02706 178.7
[M-H]- 325.03056 171.0
[M+NH4]+ 344.07166 183.4
[M+K]+ 365.00100 166.2
[M+H-H2O]+ 309.03510 164.7
[M+HCOO]- 371.03604 182.8
[M+CH3COO]- 385.05169 178.8
[M+Na-2H]- 347.01251 168.0
[M]+ 326.03729 183.2
[M]- 326.03839 183.2
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.