CID 3000765

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

Structural Information

Molecular Formula
C12H15ClN4O2
SMILES
C1[C@@H](C([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O)CCl
InChI
InChI=1S/C12H15ClN4O2/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
MEZXHKKXNXOVHM-ZEXMEJGCSA-N
Compound name
(2S,3R,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(chloromethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08835 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09563 162.5
[M+Na]+ 305.07757 173.3
[M-H]- 281.08107 164.6
[M+NH4]+ 300.12217 178.6
[M+K]+ 321.05151 167.2
[M+H-H2O]+ 265.08561 155.3
[M+HCOO]- 327.08655 176.6
[M+CH3COO]- 341.10220 173.7
[M+Na-2H]- 303.06302 162.7
[M]+ 282.08780 163.0
[M]- 282.08890 163.0
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.