CID 135705539

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

Structural Information

Molecular Formula
C30H21N3O2
SMILES
C1=CC=C(C=C1)C2=NC(=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)O)/C=C\5/C=C6C=CC=CC6=N5
InChI
InChI=1S/C30H21N3O2/c34-30-28(20-23-19-22-11-7-8-14-27(22)31-23)32-29(21-9-3-1-4-10-21)33(30)24-15-17-26(18-16-24)35-25-12-5-2-6-13-25/h1-20,34H/b23-20-
InChIKey
OSFOKNKDKSGUJN-ATJXCDBQSA-N
Compound name
5-[(Z)-indol-2-ylidenemethyl]-3-(4-phenoxyphenyl)-2-phenylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.1634 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17068 210.7
[M+Na]+ 478.15262 219.5
[M-H]- 454.15612 223.3
[M+NH4]+ 473.19722 217.8
[M+K]+ 494.12656 209.9
[M+H-H2O]+ 438.16066 198.0
[M+HCOO]- 500.16160 230.2
[M+CH3COO]- 514.17725 219.2
[M+Na-2H]- 476.13807 210.2
[M]+ 455.16285 212.0
[M]- 455.16395 212.0
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.