CID 1324082

400864-36-0

Structural Information

Molecular Formula
C22H19N3OS
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC5=CC=CC=C5C=C4)N
InChI
InChI=1S/C22H19N3OS/c23-19-17-12-15-7-3-4-8-18(15)25-22(17)27-20(19)21(26)24-16-10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,9-12H,3-4,7-8,23H2,(H,24,26)
InChIKey
SITDUAWWTWMILE-UHFFFAOYSA-N
Compound name
3-amino-N-naphthalen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

373.12488 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13216 183.5
[M+Na]+ 396.11410 197.8
[M+NH4]+ 391.15870 193.6
[M+K]+ 412.08804 188.5
[M-H]- 372.11760 190.6
[M+Na-2H]- 394.09955 191.1
[M]+ 373.12433 188.1
[M]- 373.12543 188.1
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

patents stripe