CID 82087932

1225781-20-3

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(C)C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C16H16N2O/c1-11(2)12-7-9-13(10-8-12)18-15-6-4-3-5-14(15)17-16(18)19/h3-11H,1-2H3,(H,17,19)
InChIKey
XEPVUFNDHZQQRO-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 157.2
[M+Na]+ 275.115488 167.7
[M-H]- 251.118994 161.9
[M+NH4]+ 270.160093 174.1
[M+K]+ 291.089428 161.7
[M+H-H2O]+ 235.123530 149.2
[M+HCOO]- 297.124471 178.2
[M+CH3COO]- 311.140121 169.7
[M+Na-2H]- 273.100936 161.7
[M]+ 252.12572142 158.5
[M]- 252.12681858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.