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

6
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 161.8
[M+Na]+ 288.147118 170.6
[M-H]- 264.150624 166.6
[M+NH4]+ 283.191723 178.1
[M+K]+ 304.121058 164.3
[M+H-H2O]+ 248.155160 152.6
[M+HCOO]- 310.156101 185.0
[M+CH3COO]- 324.171751 173.6
[M+Na-2H]- 286.132566 167.7
[M]+ 265.15735142 163.1
[M]- 265.15844858 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.