CID 879497

(4-chlorophenyl)(2-phenyl-4,5-dihydro-1h-imidazol-1-yl)methanone

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
NZWXOWUIMBDPNR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 164.2
[M+Na]+ 307.06088 172.8
[M-H]- 283.06438 171.2
[M+NH4]+ 302.10548 179.4
[M+K]+ 323.03482 166.5
[M+H-H2O]+ 267.06892 154.8
[M+HCOO]- 329.06986 180.6
[M+CH3COO]- 343.08551 175.8
[M+Na-2H]- 305.04633 166.5
[M]+ 284.07111 164.6
[M]- 284.07221 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.