CID 3061770

79759-44-7

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H17ClN2O/c19-13-10-11-16-17(12-13)21(15-6-2-1-3-7-15)18(22)20(16)14-8-4-5-9-14/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKey
DIQWPCIERNOFRQ-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.110216 173.0
[M+Na]+ 335.092158 184.0
[M-H]- 311.095664 181.8
[M+NH4]+ 330.136763 190.5
[M+K]+ 351.066098 176.6
[M+H-H2O]+ 295.100200 164.2
[M+HCOO]- 357.101141 190.2
[M+CH3COO]- 371.116791 185.2
[M+Na-2H]- 333.077606 173.4
[M]+ 312.10239142 175.3
[M]- 312.10348858 175.3
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.