CID 165918888

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

Structural Information

Molecular Formula
C16H17N3
SMILES
CC1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C16H17N3/c1-11-2-4-12(5-3-11)13-6-7-14-15(10-13)19-16(18-14)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKey
OHKKQFBOZIQWAI-UHFFFAOYSA-N
Compound name
2-[6-(4-methylphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 158.5
[M+Na]+ 274.13146 173.5
[M+NH4]+ 269.17606 167.2
[M+K]+ 290.10540 166.9
[M-H]- 250.13496 163.0
[M+Na-2H]- 272.11691 167.1
[M]+ 251.14169 162.0
[M]- 251.14279 162.0
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.