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

143
Patents

167.02502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 129.6
[M+Na]+ 190.014238 141.7
[M-H]- 166.017744 129.2
[M+NH4]+ 185.058843 149.4
[M+K]+ 205.988178 136.4
[M+H-H2O]+ 150.022280 122.6
[M+HCOO]- 212.023221 146.7
[M+CH3COO]- 226.038871 143.3
[M+Na-2H]- 187.999686 138.6
[M]+ 167.02447142 131.6
[M]- 167.02556858 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