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]+ 267.14918 161.5
[M+Na]+ 289.13112 172.2
[M-H]- 265.13462 167.2
[M+NH4]+ 284.17572 178.6
[M+K]+ 305.10506 166.4
[M+H-H2O]+ 249.13916 152.6
[M+HCOO]- 311.14010 184.6
[M+CH3COO]- 325.15575 174.3
[M+Na-2H]- 287.11657 166.9
[M]+ 266.14135 165.4
[M]- 266.14245 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.