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-chloropyridin-2-yl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

244.05157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05885 151.4
[M+Na]+ 267.04079 163.6
[M-H]- 243.04429 154.2
[M+NH4]+ 262.08539 167.6
[M+K]+ 283.01473 155.9
[M+H-H2O]+ 227.04883 143.0
[M+HCOO]- 289.04977 168.6
[M+CH3COO]- 303.06542 163.8
[M+Na-2H]- 265.02624 158.1
[M]+ 244.05102 152.1
[M]- 244.05212 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