CID 11948203

Schembl12155716

Structural Information

Molecular Formula
C25H23NO2
SMILES
CC1=CC(=CC=C1)CC2=C(C3=CC=CC=C3NC2=O)OCC4=CC=CC(=C4)C
InChI
InChI=1S/C25H23NO2/c1-17-7-5-9-19(13-17)15-22-24(28-16-20-10-6-8-18(2)14-20)21-11-3-4-12-23(21)26-25(22)27/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKey
OUBSTCMTFMRDRV-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)methoxy]-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.17288 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18016 192.1
[M+Na]+ 392.16210 200.6
[M-H]- 368.16560 200.1
[M+NH4]+ 387.20670 203.1
[M+K]+ 408.13604 192.7
[M+H-H2O]+ 352.17014 181.1
[M+HCOO]- 414.17108 211.0
[M+CH3COO]- 428.18673 201.8
[M+Na-2H]- 390.14755 195.4
[M]+ 369.17233 193.3
[M]- 369.17343 193.3
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

patents stripe