CID 3005005

Nsc667466

Structural Information

Molecular Formula
C11H8N2S2
SMILES
C1C(=S)NC2=C(S1)C3=CC=CC=C3N=C2
InChI
InChI=1S/C11H8N2S2/c14-10-6-15-11-7-3-1-2-4-8(7)12-5-9(11)13-10/h1-5H,6H2,(H,13,14)
InChIKey
YMEHBYXWBRQUML-UHFFFAOYSA-N
Compound name
4H-[1,4]thiazino[3,2-c]quinoline-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0129 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02018 140.9
[M+Na]+ 255.00212 150.8
[M-H]- 231.00562 141.7
[M+NH4]+ 250.04672 158.6
[M+K]+ 270.97606 143.7
[M+H-H2O]+ 215.01016 135.2
[M+HCOO]- 277.01110 147.6
[M+CH3COO]- 291.02675 152.1
[M+Na-2H]- 252.98757 146.4
[M]+ 232.01235 139.3
[M]- 232.01345 139.3
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.