CID 3061785

Brn 5587163

Structural Information

Molecular Formula
C19H13ClN2O
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Cl)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H13ClN2O/c20-14-11-12-17-18(13-14)22(16-9-5-2-6-10-16)19(23)21(17)15-7-3-1-4-8-15/h1-13H
InChIKey
KCPOTZDAKRAPBZ-UHFFFAOYSA-N
Compound name
5-chloro-1,3-diphenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07894 173.5
[M+Na]+ 343.06088 186.2
[M-H]- 319.06438 182.4
[M+NH4]+ 338.10548 188.7
[M+K]+ 359.03482 177.8
[M+H-H2O]+ 303.06892 163.7
[M+HCOO]- 365.06986 192.2
[M+CH3COO]- 379.08551 186.0
[M+Na-2H]- 341.04633 178.4
[M]+ 320.07111 178.0
[M]- 320.07221 178.0
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.