CID 510029

1-ethyl-3-phenethyl-benzimidazol-2-one

Structural Information

Molecular Formula
C17H18N2O
SMILES
CCN1C2=CC=CC=C2N(C1=O)CCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O/c1-2-18-15-10-6-7-11-16(15)19(17(18)20)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
VHQKFUHHBJEOHY-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-phenylethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 161.5
[M+Na]+ 289.131118 172.2
[M-H]- 265.134624 167.2
[M+NH4]+ 284.175723 178.6
[M+K]+ 305.105058 166.4
[M+H-H2O]+ 249.139160 152.6
[M+HCOO]- 311.140101 184.6
[M+CH3COO]- 325.155751 174.3
[M+Na-2H]- 287.116566 166.9
[M]+ 266.14135142 165.4
[M]- 266.14244858 165.4
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.