CID 3005168

Nsc679092

Structural Information

Molecular Formula
C17H12N2S
SMILES
C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=S
InChI
InChI=1S/C17H12N2S/c20-16-10-12-9-11-5-1-3-7-14(11)19-17(12)13-6-2-4-8-15(13)18-16/h1-9H,10H2,(H,18,20)
InChIKey
IQJXCSSFHCGRMU-UHFFFAOYSA-N
Compound name
5,7-dihydroquinolino[3,2-d][1]benzazepine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0721 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07938 161.4
[M+Na]+ 299.06132 170.5
[M-H]- 275.06482 165.1
[M+NH4]+ 294.10592 177.2
[M+K]+ 315.03526 166.7
[M+H-H2O]+ 259.06936 155.2
[M+HCOO]- 321.07030 172.5
[M+CH3COO]- 335.08595 171.8
[M+Na-2H]- 297.04677 168.0
[M]+ 276.07155 158.2
[M]- 276.07265 158.2
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.