CID 3061759

Brn 5573193

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
CCCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN2O/c1-2-10-18-14-9-8-12(17)11-15(14)19(16(18)20)13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3
InChIKey
HJCFWUNEHRVKCW-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1-propylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08728 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 164.2
[M+Na]+ 309.07650 177.1
[M-H]- 285.08000 170.1
[M+NH4]+ 304.12110 181.6
[M+K]+ 325.05044 169.8
[M+H-H2O]+ 269.08454 156.0
[M+HCOO]- 331.08548 182.9
[M+CH3COO]- 345.10113 177.3
[M+Na-2H]- 307.06195 168.8
[M]+ 286.08673 170.3
[M]- 286.08783 170.3
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.