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]+ 253.13355 157.2
[M+Na]+ 275.11549 167.7
[M-H]- 251.11899 161.9
[M+NH4]+ 270.16009 174.1
[M+K]+ 291.08943 161.7
[M+H-H2O]+ 235.12353 149.2
[M+HCOO]- 297.12447 178.2
[M+CH3COO]- 311.14012 169.7
[M+Na-2H]- 273.10094 161.7
[M]+ 252.12572 158.5
[M]- 252.12682 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.