CID 11948204

Schembl12155647

Structural Information

Molecular Formula
C33H31NO2
SMILES
CC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)OCC5=CC=C(C=C5)C
InChI
InChI=1S/C33H31NO2/c1-23-8-14-26(15-9-23)20-30-32(36-22-28-18-12-25(3)13-19-28)29-6-4-5-7-31(29)34(33(30)35)21-27-16-10-24(2)11-17-27/h4-19H,20-22H2,1-3H3
InChIKey
RJKQKYCFKBVFHK-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

473.23547 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.24275 225.3
[M+Na]+ 496.22469 233.0
[M-H]- 472.22819 236.9
[M+NH4]+ 491.26929 232.0
[M+K]+ 512.19863 224.3
[M+H-H2O]+ 456.23273 211.0
[M+HCOO]- 518.23367 243.3
[M+CH3COO]- 532.24932 232.9
[M+Na-2H]- 494.21014 224.8
[M]+ 473.23492 228.1
[M]- 473.23602 228.1
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

patents stripe