CID 28303639

2-[1-(2-phenylethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C17H19N3
SMILES
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C17H19N3/c18-12-10-17-19-15-8-4-5-9-16(15)20(17)13-11-14-6-2-1-3-7-14/h1-9H,10-13,18H2
InChIKey
XDMKMEOOBJUHBD-UHFFFAOYSA-N
Compound name
2-[1-(2-phenylethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.8
[M+Na]+ 288.14712 170.6
[M-H]- 264.15062 166.6
[M+NH4]+ 283.19172 178.1
[M+K]+ 304.12106 164.3
[M+H-H2O]+ 248.15516 152.6
[M+HCOO]- 310.15610 185.0
[M+CH3COO]- 324.17175 173.6
[M+Na-2H]- 286.13257 167.7
[M]+ 265.15735 163.1
[M]- 265.15845 163.1
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.