CID 135705535

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

Structural Information

Molecular Formula
C25H18ClN3O
SMILES
CC1=CC(=CC=C1)N2C(=C(N=C2C3=CC=CC=C3Cl)/C=C/4\C=NC5=CC=CC=C54)O
InChI
InChI=1S/C25H18ClN3O/c1-16-7-6-8-18(13-16)29-24(20-10-2-4-11-21(20)26)28-23(25(29)30)14-17-15-27-22-12-5-3-9-19(17)22/h2-15,30H,1H3/b17-14+
InChIKey
OCTDBICPZYSKAY-SAPNQHFASA-N
Compound name
2-(2-chlorophenyl)-5-[(Z)-indol-3-ylidenemethyl]-3-(3-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 201.1
[M+Na]+ 434.10305 219.9
[M+NH4]+ 429.14765 209.5
[M+K]+ 450.07699 212.7
[M-H]- 410.10655 208.6
[M+Na-2H]- 432.08850 211.4
[M]+ 411.11328 206.5
[M]- 411.11438 206.5
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.