CID 516453

Schembl6858778

Structural Information

Molecular Formula
C26H25NO2
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H25NO2/c1-17(2)20-10-15-24-23(16-20)26(28)18(3)25(19-8-6-5-7-9-19)27(24)21-11-13-22(29-4)14-12-21/h5-17H,1-4H3
InChIKey
SMRQCZQNQWQTKW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.18854 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19582 196.5
[M+Na]+ 406.17776 205.4
[M-H]- 382.18126 206.0
[M+NH4]+ 401.22236 207.7
[M+K]+ 422.15170 198.8
[M+H-H2O]+ 366.18580 185.2
[M+HCOO]- 428.18674 215.4
[M+CH3COO]- 442.20239 206.5
[M+Na-2H]- 404.16321 197.7
[M]+ 383.18799 199.5
[M]- 383.18909 199.5
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