CID 3005006

Nsc667467

Structural Information

Molecular Formula
C17H12N2S2
SMILES
C1=CC=C(C=C1)C2C(=S)NC3=C(S2)C4=CC=CC=C4N=C3
InChI
InChI=1S/C17H12N2S2/c20-17-15(11-6-2-1-3-7-11)21-16-12-8-4-5-9-13(12)18-10-14(16)19-17/h1-10,15H,(H,19,20)
InChIKey
MKPMXLAYKDWWLV-UHFFFAOYSA-N
Compound name
2-phenyl-4H-[1,4]thiazino[3,2-c]quinoline-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0442 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05148 161.7
[M+Na]+ 331.03342 171.4
[M-H]- 307.03692 165.3
[M+NH4]+ 326.07802 176.0
[M+K]+ 347.00736 162.3
[M+H-H2O]+ 291.04146 154.4
[M+HCOO]- 353.04240 168.1
[M+CH3COO]- 367.05805 171.6
[M+Na-2H]- 329.01887 166.4
[M]+ 308.04365 159.9
[M]- 308.04475 159.9
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.