CID 155970920

2-(5-phenyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C15H15N3/c16-9-8-15-17-13-7-6-12(10-14(13)18-15)11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,18)
InChIKey
WCUNZMILXLQLLP-UHFFFAOYSA-N
Compound name
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.1266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.133876 152.6
[M+Na]+ 260.115818 161.9
[M-H]- 236.119324 156.4
[M+NH4]+ 255.160423 169.4
[M+K]+ 276.089758 155.2
[M+H-H2O]+ 220.123860 144.2
[M+HCOO]- 282.124801 175.1
[M+CH3COO]- 296.140451 164.7
[M+Na-2H]- 258.101266 159.3
[M]+ 237.12605142 151.5
[M]- 237.12714858 151.5
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.