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

2
Patents

251.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 158.0
[M+Na]+ 274.131458 167.8
[M-H]- 250.134964 162.0
[M+NH4]+ 269.176063 174.5
[M+K]+ 290.105398 160.9
[M+H-H2O]+ 234.139500 149.6
[M+HCOO]- 296.140441 180.1
[M+CH3COO]- 310.156091 170.0
[M+Na-2H]- 272.116906 163.3
[M]+ 251.14169142 157.6
[M]- 251.14278858 157.6
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.