CID 135705538

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

Structural Information

Molecular Formula
C25H19N3O2
SMILES
CC1=NC(=C(N1C2=CC=C(C=C2)OC3=CC=CC=C3)O)/C=C\4/C=C5C=CC=CC5=N4
InChI
InChI=1S/C25H19N3O2/c1-17-26-24(16-19-15-18-7-5-6-10-23(18)27-19)25(29)28(17)20-11-13-22(14-12-20)30-21-8-3-2-4-9-21/h2-16,29H,1H3/b19-16-
InChIKey
LQUUQTGXOOEONG-MNDPQUGUSA-N
Compound name
5-[(Z)-indol-2-ylidenemethyl]-2-methyl-3-(4-phenoxyphenyl)imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.14774 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15502 195.1
[M+Na]+ 416.13696 205.4
[M-H]- 392.14046 205.4
[M+NH4]+ 411.18156 205.8
[M+K]+ 432.11090 197.0
[M+H-H2O]+ 376.14500 184.1
[M+HCOO]- 438.14594 215.8
[M+CH3COO]- 452.16159 205.4
[M+Na-2H]- 414.12241 195.4
[M]+ 393.14719 198.0
[M]- 393.14829 198.0
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.