CID 516450

Schembl6858905

Structural Information

Molecular Formula
C25H22FNO
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C25H22FNO/c1-16(2)19-9-14-23-22(15-19)25(28)17(3)24(18-7-5-4-6-8-18)27(23)21-12-10-20(26)11-13-21/h4-16H,1-3H3
InChIKey
BUTKNGDJOUPJNK-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.16855 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17583 192.1
[M+Na]+ 394.15777 201.8
[M-H]- 370.16127 200.5
[M+NH4]+ 389.20237 203.9
[M+K]+ 410.13171 194.1
[M+H-H2O]+ 354.16581 180.3
[M+HCOO]- 416.16675 210.2
[M+CH3COO]- 430.18240 202.2
[M+Na-2H]- 392.14322 193.2
[M]+ 371.16800 192.5
[M]- 371.16910 192.5
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