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

378
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 136.5
[M+Na]+ 223.03004 146.2
[M-H]- 199.03354 137.9
[M+NH4]+ 218.07464 155.2
[M+K]+ 239.00398 140.5
[M+H-H2O]+ 183.03808 129.8
[M+HCOO]- 245.03902 149.9
[M+CH3COO]- 259.05467 148.8
[M+Na-2H]- 221.01549 145.4
[M]+ 200.04027 135.4
[M]- 200.04137 135.4
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