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]+ 352.14781 180.9
[M+Na]+ 374.12975 194.0
[M+NH4]+ 369.17435 190.1
[M+K]+ 390.10369 185.9
[M-H]- 350.13325 187.0
[M+Na-2H]- 372.11520 187.2
[M]+ 351.13998 185.0
[M]- 351.14108 185.0
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.