CID 3061760

Brn 5567027

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
CC(C)N1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN2O/c1-11(2)18-14-9-8-12(17)10-15(14)19(16(18)20)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKey
GRIXLAZSRGNTHX-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1-propan-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08728 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 163.8
[M+Na]+ 309.07650 176.3
[M-H]- 285.08000 169.9
[M+NH4]+ 304.12110 181.1
[M+K]+ 325.05044 169.6
[M+H-H2O]+ 269.08454 155.8
[M+HCOO]- 331.08548 181.5
[M+CH3COO]- 345.10113 176.8
[M+Na-2H]- 307.06195 167.3
[M]+ 286.08673 169.4
[M]- 286.08783 169.4
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.