CID 1990782

428450-40-2

Structural Information

Molecular Formula
C18H15Cl2N3OS
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC(=C(C=C4)Cl)Cl)N
InChI
InChI=1S/C18H15Cl2N3OS/c19-12-6-5-10(8-13(12)20)22-17(24)16-15(21)11-7-9-3-1-2-4-14(9)23-18(11)25-16/h5-8H,1-4,21H2,(H,22,24)
InChIKey
ZLCCWTBZDLCGKF-UHFFFAOYSA-N
Compound name
3-amino-N-(3,4-dichlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.03128 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03856 185.8
[M+Na]+ 414.02050 196.4
[M-H]- 390.02400 192.5
[M+NH4]+ 409.06510 201.5
[M+K]+ 429.99444 188.3
[M+H-H2O]+ 374.02854 180.1
[M+HCOO]- 436.02948 192.7
[M+CH3COO]- 450.04513 195.9
[M+Na-2H]- 412.00595 186.6
[M]+ 391.03073 190.0
[M]- 391.03183 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.