CID 67496

261-96-1

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC=N3
InChI
InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)
InChIKey
UKDZROJJLPDLDO-UHFFFAOYSA-N
Compound name
10H-pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

287
Patents

200.04082 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 138.1
[M+Na]+ 223.03004 153.8
[M+NH4]+ 218.07464 149.0
[M+K]+ 239.00398 143.3
[M-H]- 199.03354 141.8
[M+Na-2H]- 221.01549 146.3
[M]+ 200.04027 142.1
[M]- 200.04137 142.1
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