CID 615708

309741-93-3

Structural Information

Molecular Formula
C20H21N3OS
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N)C
InChI
InChI=1S/C20H21N3OS/c1-11-6-5-9-15(12(11)2)22-19(24)18-17(21)14-10-13-7-3-4-8-16(13)23-20(14)25-18/h5-6,9-10H,3-4,7-8,21H2,1-2H3,(H,22,24)
InChIKey
GEFUAQZKOGKQLC-UHFFFAOYSA-N
Compound name
3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

351.14053 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.147806 180.9
[M+Na]+ 374.129748 189.7
[M-H]- 350.133254 188.0
[M+NH4]+ 369.174353 196.8
[M+K]+ 390.103688 183.0
[M+H-H2O]+ 334.137790 173.4
[M+HCOO]- 396.138731 196.6
[M+CH3COO]- 410.154381 191.4
[M+Na-2H]- 372.115196 182.0
[M]+ 351.13998142 182.0
[M]- 351.14107858 182.0
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.