CID 516447

Schembl5866594

Structural Information

Molecular Formula
C25H23NO
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H23NO/c1-17(2)20-14-15-23-22(16-20)25(27)18(3)24(19-10-6-4-7-11-19)26(23)21-12-8-5-9-13-21/h4-17H,1-3H3
InChIKey
CBPPQOOCBFRCJI-UHFFFAOYSA-N
Compound name
3-methyl-1,2-diphenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

353.17798 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18526 188.3
[M+Na]+ 376.16720 197.0
[M-H]- 352.17070 197.6
[M+NH4]+ 371.21180 200.6
[M+K]+ 392.14114 189.7
[M+H-H2O]+ 336.17524 177.3
[M+HCOO]- 398.17618 207.5
[M+CH3COO]- 412.19183 198.7
[M+Na-2H]- 374.15265 190.7
[M]+ 353.17743 189.2
[M]- 353.17853 189.2
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