CID 165910364

2-[5-(4-chlorophenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN)Cl
InChI
InChI=1S/C15H14ClN3/c16-12-4-1-10(2-5-12)11-3-6-13-14(9-11)19-15(18-13)7-8-17/h1-6,9H,7-8,17H2,(H,18,19)
InChIKey
QFKLYQPUTVOEKM-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenyl)-1H-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 160.7
[M+Na]+ 294.07684 171.6
[M-H]- 270.08034 164.5
[M+NH4]+ 289.12144 177.2
[M+K]+ 310.05078 163.4
[M+H-H2O]+ 254.08488 152.8
[M+HCOO]- 316.08582 178.4
[M+CH3COO]- 330.10147 172.6
[M+Na-2H]- 292.06229 165.9
[M]+ 271.08707 162.0
[M]- 271.08817 162.0
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.