CID 135570662

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

Structural Information

Molecular Formula
C31H23N3O2
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=C(N=C3C4=CC=CC=C4)/C=C/5\C=NC6=CC=CC=C65)O
InChI
InChI=1S/C31H23N3O2/c1-21-11-15-25(16-12-21)36-26-17-13-24(14-18-26)34-30(22-7-3-2-4-8-22)33-29(31(34)35)19-23-20-32-28-10-6-5-9-27(23)28/h2-20,35H,1H3/b23-19+
InChIKey
QLTDLAJKHMKIPQ-FCDQGJHFSA-N
Compound name
5-[(Z)-indol-3-ylidenemethyl]-3-[4-(4-methylphenoxy)phenyl]-2-phenylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.17902 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18630 216.2
[M+Na]+ 492.16824 224.5
[M-H]- 468.17174 228.8
[M+NH4]+ 487.21284 223.0
[M+K]+ 508.14218 214.9
[M+H-H2O]+ 452.17628 203.5
[M+HCOO]- 514.17722 234.1
[M+CH3COO]- 528.19287 224.2
[M+Na-2H]- 490.15369 213.5
[M]+ 469.17847 217.0
[M]- 469.17957 217.0
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.