CID 96668273

2-[1-(3-chlorophenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1=CC=C2C(=C1)N=C(N2C3=CC(=CC=C3)Cl)CCN
InChI
InChI=1S/C15H14ClN3/c16-11-4-3-5-12(10-11)19-14-7-2-1-6-13(14)18-15(19)8-9-17/h1-7,10H,8-9,17H2
InChIKey
QAONOAJXFCNANO-UHFFFAOYSA-N
Compound name
2-[1-(3-chlorophenyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09490 160.9
[M+Na]+ 294.07684 172.3
[M-H]- 270.08034 166.0
[M+NH4]+ 289.12144 178.1
[M+K]+ 310.05078 164.8
[M+H-H2O]+ 254.08488 152.6
[M+HCOO]- 316.08582 180.0
[M+CH3COO]- 330.10147 173.4
[M+Na-2H]- 292.06229 166.4
[M]+ 271.08707 164.0
[M]- 271.08817 164.0
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

No patent data available for this compound.