CID 5177145

441783-90-0

Structural Information

Molecular Formula
C23H25N3O2S2
SMILES
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=C(SC(=C4)C)SC)C(=O)CCC3)C
InChI
InChI=1S/C23H25N3O2S2/c1-12-8-9-18(24-11-12)26-22(28)19-14(3)25-16-6-5-7-17(27)21(16)20(19)15-10-13(2)30-23(15)29-4/h8-11,20,25H,5-7H2,1-4H3,(H,24,26,28)
InChIKey
DNMTVJMATFLCQQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-N-(5-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

439.13882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.14610 201.6
[M+Na]+ 462.12804 213.6
[M+NH4]+ 457.17264 208.9
[M+K]+ 478.10198 204.3
[M-H]- 438.13154 206.9
[M+Na-2H]- 460.11349 206.4
[M]+ 439.13827 205.7
[M]- 439.13937 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.