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 189.7
[M-H]- 350.13325 188.0
[M+NH4]+ 369.17435 196.8
[M+K]+ 390.10369 183.0
[M+H-H2O]+ 334.13779 173.4
[M+HCOO]- 396.13873 196.6
[M+CH3COO]- 410.15438 191.4
[M+Na-2H]- 372.11520 182.0
[M]+ 351.13998 182.0
[M]- 351.14108 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.