CID 135441074

3,5-dihydro-2-(4-chlorophenyl)-5-(1h-indol-3-ylmethylene)-3-phenyl-4h-imidazol-4-one

Structural Information

Molecular Formula
C24H16ClN3O
SMILES
C1=CC=C(C=C1)N2C(=C(N=C2C3=CC=C(C=C3)Cl)/C=C/4\C=NC5=CC=CC=C54)O
InChI
InChI=1S/C24H16ClN3O/c25-18-12-10-16(11-13-18)23-27-22(24(29)28(23)19-6-2-1-3-7-19)14-17-15-26-21-9-5-4-8-20(17)21/h1-15,29H/b17-14+
InChIKey
VYORYIWJZQLUNW-SAPNQHFASA-N
Compound name
2-(4-chlorophenyl)-5-[(Z)-indol-3-ylidenemethyl]-3-phenylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.09818 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10546 196.7
[M+Na]+ 420.08740 207.5
[M-H]- 396.09090 206.2
[M+NH4]+ 415.13200 208.1
[M+K]+ 436.06134 197.5
[M+H-H2O]+ 380.09544 185.6
[M+HCOO]- 442.09638 211.4
[M+CH3COO]- 456.11203 206.5
[M+Na-2H]- 418.07285 195.7
[M]+ 397.09763 198.8
[M]- 397.09873 198.8
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.