CID 1990785

3-amino-n-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

Structural Information

Molecular Formula
C19H18ClN3OS
SMILES
C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H18ClN3OS/c20-12-6-8-13(9-7-12)22-18(24)17-16(21)14-10-11-4-2-1-3-5-15(11)23-19(14)25-17/h6-10H,1-5,21H2,(H,22,24)
InChIKey
RXKXJYVYEKSLRK-UHFFFAOYSA-N
Compound name
6-amino-N-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0859 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09318 183.7
[M+Na]+ 394.07512 195.2
[M+NH4]+ 389.11972 192.2
[M+K]+ 410.04906 188.0
[M-H]- 370.07862 189.0
[M+Na-2H]- 392.06057 189.8
[M]+ 371.08535 187.6
[M]- 371.08645 187.6
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.