CID 516451

Schembl5866596

Structural Information

Molecular Formula
C25H22ClNO
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H22ClNO/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
PYIDIWSPRDAPJC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.13898 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14626 194.9
[M+Na]+ 410.12820 205.3
[M-H]- 386.13170 204.3
[M+NH4]+ 405.17280 207.0
[M+K]+ 426.10214 196.7
[M+H-H2O]+ 370.13624 184.4
[M+HCOO]- 432.13718 209.5
[M+CH3COO]- 446.15283 205.2
[M+Na-2H]- 408.11365 196.1
[M]+ 387.13843 198.8
[M]- 387.13953 198.8
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