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]+ 283.180496 168.5
[M+Na]+ 305.162438 175.4
[M-H]- 281.165944 172.7
[M+NH4]+ 300.207043 184.3
[M+K]+ 321.136378 170.3
[M+H-H2O]+ 265.170480 158.9
[M+HCOO]- 327.171421 188.2
[M+CH3COO]- 341.187071 179.3
[M+Na-2H]- 303.147886 172.0
[M]+ 282.17267142 170.1
[M]- 282.17376858 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.