CID 9837640

99420-15-2

Structural Information

Molecular Formula
C13H8N2OS
SMILES
C1=CC=C2C(=C1)C(=O)N=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C13H8N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8H
InChIKey
GBAKVEWPYUIGHN-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

70
Patents

240.03574 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04302 148.6
[M+Na]+ 263.02496 159.9
[M-H]- 239.02846 154.3
[M+NH4]+ 258.06956 165.2
[M+K]+ 278.99890 154.1
[M+H-H2O]+ 223.03300 140.4
[M+HCOO]- 285.03394 166.0
[M+CH3COO]- 299.04959 161.6
[M+Na-2H]- 261.01041 156.1
[M]+ 240.03519 150.9
[M]- 240.03629 150.9
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