CID 2893532

362487-51-2

Structural Information

Molecular Formula
C21H21N3O2S
SMILES
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CS4)C(=O)CCC3)C
InChI
InChI=1S/C21H21N3O2S/c1-12-8-9-22-17(11-12)24-21(26)18-13(2)23-14-5-3-6-15(25)19(14)20(18)16-7-4-10-27-16/h4,7-11,20,23H,3,5-6H2,1-2H3,(H,22,24,26)
InChIKey
CBPHZHOUXJCTTH-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.13544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14272 189.5
[M+Na]+ 402.12466 196.4
[M-H]- 378.12816 196.2
[M+NH4]+ 397.16926 201.1
[M+K]+ 418.09860 189.2
[M+H-H2O]+ 362.13270 180.9
[M+HCOO]- 424.13364 201.0
[M+CH3COO]- 438.14929 198.1
[M+Na-2H]- 400.11011 187.3
[M]+ 379.13489 187.8
[M]- 379.13599 187.8
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.