CID 510026

1-methyl-3-phenethyl-2h-benzimidazole

Structural Information

Molecular Formula
C16H18N2
SMILES
CN1CN(C2=CC=CC=C21)CCC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-17-13-18(16-10-6-5-9-15(16)17)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKey
SJLAQMZNDOJFDY-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-phenylethyl)-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.0
[M+Na]+ 261.13622 164.1
[M-H]- 237.13972 160.7
[M+NH4]+ 256.18082 173.8
[M+K]+ 277.11016 158.9
[M+H-H2O]+ 221.14426 147.1
[M+HCOO]- 283.14520 176.3
[M+CH3COO]- 297.16085 168.0
[M+Na-2H]- 259.12167 160.7
[M]+ 238.14645 155.6
[M]- 238.14755 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.