CID 11948200

Schembl12155468

Structural Information

Molecular Formula
C26H25NO2
SMILES
CC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N(C2=O)C)OCC4=CC=C(C=C4)C
InChI
InChI=1S/C26H25NO2/c1-18-8-12-20(13-9-18)16-23-25(29-17-21-14-10-19(2)11-15-21)22-6-4-5-7-24(22)27(3)26(23)28/h4-15H,16-17H2,1-3H3
InChIKey
WYVCHBPGHIWMOL-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-methylphenyl)methoxy]-3-[(4-methylphenyl)methyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.18854 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19582 197.1
[M+Na]+ 406.17776 206.4
[M-H]- 382.18126 206.6
[M+NH4]+ 401.22236 208.5
[M+K]+ 422.15170 199.2
[M+H-H2O]+ 366.18580 185.6
[M+HCOO]- 428.18674 217.1
[M+CH3COO]- 442.20239 207.3
[M+Na-2H]- 404.16321 199.4
[M]+ 383.18799 200.7
[M]- 383.18909 200.7
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