CID 3061766

79759-40-3

Structural Information

Molecular Formula
C20H15ClN2O
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H15ClN2O/c21-16-11-12-18-19(13-16)23(17-9-5-2-6-10-17)20(24)22(18)14-15-7-3-1-4-8-15/h1-13H,14H2
InChIKey
GJXAEANNSSLLFW-UHFFFAOYSA-N
Compound name
1-benzyl-5-chloro-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09456 178.1
[M+Na]+ 357.07650 190.3
[M-H]- 333.08000 186.8
[M+NH4]+ 352.12110 192.7
[M+K]+ 373.05044 181.7
[M+H-H2O]+ 317.08454 168.0
[M+HCOO]- 379.08548 196.4
[M+CH3COO]- 393.10113 190.1
[M+Na-2H]- 355.06195 182.5
[M]+ 334.08673 182.9
[M]- 334.08783 182.9
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.