CID 135705534

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

Structural Information

Molecular Formula
C25H18ClN3O
SMILES
CC1=CC=CC=C1N2C(=C(N=C2C3=CC=CC=C3Cl)/C=C/4\C=NC5=CC=CC=C54)O
InChI
InChI=1S/C25H18ClN3O/c1-16-8-2-7-13-23(16)29-24(19-10-3-5-11-20(19)26)28-22(25(29)30)14-17-15-27-21-12-6-4-9-18(17)21/h2-15,30H,1H3/b17-14+
InChIKey
AEQAUDPKAOQSLG-SAPNQHFASA-N
Compound name
2-(2-chlorophenyl)-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.11383 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12111 201.9
[M+Na]+ 434.10305 213.2
[M-H]- 410.10655 211.6
[M+NH4]+ 429.14765 213.0
[M+K]+ 450.07699 202.9
[M+H-H2O]+ 394.11109 190.9
[M+HCOO]- 456.11203 216.3
[M+CH3COO]- 470.12768 211.6
[M+Na-2H]- 432.08850 199.6
[M]+ 411.11328 204.8
[M]- 411.11438 204.8
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.