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 160.5
[M+Na]+ 294.07684 176.6
[M+NH4]+ 289.12144 169.6
[M+K]+ 310.05078 169.2
[M-H]- 270.08034 165.1
[M+Na-2H]- 292.06229 169.4
[M]+ 271.08707 164.5
[M]- 271.08817 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.