CID 64397580

2-(5-chloropyridin-2-yl)-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C12H9ClN4
SMILES
C1=CC2=C(C=C1N)NC(=N2)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C12H9ClN4/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,14H2,(H,16,17)
InChIKey
QGKOJJAVBDPHRM-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.05157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.058846 151.4
[M+Na]+ 267.040788 163.6
[M-H]- 243.044294 154.2
[M+NH4]+ 262.085393 167.6
[M+K]+ 283.014728 155.9
[M+H-H2O]+ 227.048830 143.0
[M+HCOO]- 289.049771 168.6
[M+CH3COO]- 303.065421 163.8
[M+Na-2H]- 265.026236 158.1
[M]+ 244.05102142 152.1
[M]- 244.05211858 152.1
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