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 196.5
[M+Na]+ 416.13696 214.5
[M+NH4]+ 411.18156 204.1
[M+K]+ 432.11090 208.4
[M-H]- 392.14046 203.7
[M+Na-2H]- 414.12241 207.5
[M]+ 393.14719 201.3
[M]- 393.14829 201.3
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.