CID 516452

Schembl6863408

Structural Information

Molecular Formula
C26H25NO
SMILES
CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(C)C)C(=O)C(=C2C4=CC=CC=C4)C
InChI
InChI=1S/C26H25NO/c1-17(2)21-12-15-24-23(16-21)26(28)19(4)25(20-8-6-5-7-9-20)27(24)22-13-10-18(3)11-14-22/h5-17H,1-4H3
InChIKey
SJQYTNVJNQYOAX-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-methylphenyl)-2-phenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.1936 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20088 192.8
[M+Na]+ 390.18282 201.9
[M-H]- 366.18632 202.4
[M+NH4]+ 385.22742 204.8
[M+K]+ 406.15676 194.6
[M+H-H2O]+ 350.19086 181.8
[M+HCOO]- 412.19180 211.6
[M+CH3COO]- 426.20745 203.1
[M+Na-2H]- 388.16827 194.0
[M]+ 367.19305 194.5
[M]- 367.19415 194.5
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