CID 3250660

476483-40-6

Structural Information

Molecular Formula
C24H23Cl2N3OS2
SMILES
CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)Cl)Cl)N)C#N
InChI
InChI=1S/C24H23Cl2N3OS2/c1-12-7-14(23(31-4)32-12)20-15(11-27)22(28)29(13-5-6-16(25)17(26)8-13)18-9-24(2,3)10-19(30)21(18)20/h5-8,20H,9-10,28H2,1-4H3
InChIKey
FXWYQMYSAZQFEN-UHFFFAOYSA-N
Compound name
2-amino-1-(3,4-dichlorophenyl)-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.06595 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.07323 201.8
[M+Na]+ 526.05517 215.6
[M+NH4]+ 521.09977 208.3
[M+K]+ 542.02911 200.8
[M-H]- 502.05867 201.0
[M+Na-2H]- 524.04062 206.2
[M]+ 503.06540 204.4
[M]- 503.06650 204.4
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

No patent data available for this compound.