CID 510028

1-(2-methoxyethyl)-3-phenethyl-2h-benzimidazole

Structural Information

Molecular Formula
C18H22N2O
SMILES
COCCN1CN(C2=CC=CC=C21)CCC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-21-14-13-20-15-19(17-9-5-6-10-18(17)20)12-11-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKey
FDCVTZLWNIHEPT-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-3-(2-phenylethyl)-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.5
[M+Na]+ 305.16244 175.4
[M-H]- 281.16594 172.7
[M+NH4]+ 300.20704 184.3
[M+K]+ 321.13638 170.3
[M+H-H2O]+ 265.17048 158.9
[M+HCOO]- 327.17142 188.2
[M+CH3COO]- 341.18707 179.3
[M+Na-2H]- 303.14789 172.0
[M]+ 282.17267 170.1
[M]- 282.17377 170.1
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.