CID 21818975

2-(chloromethyl)-3h-imidazo[4,5-b]pyridine hydrochloride

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC2=C(N=C1)N=C(N2)CCl
InChI
InChI=1S/C7H6ClN3/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4H2,(H,9,10,11)
InChIKey
RHOIHPMAIQTSPS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

167.02502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.6
[M+Na]+ 190.01424 141.7
[M-H]- 166.01774 129.2
[M+NH4]+ 185.05884 149.4
[M+K]+ 205.98818 136.4
[M+H-H2O]+ 150.02228 122.6
[M+HCOO]- 212.02322 146.7
[M+CH3COO]- 226.03887 143.3
[M+Na-2H]- 187.99969 138.6
[M]+ 167.02447 131.6
[M]- 167.02557 131.6
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

patents stripe