CID 383980

Nsc672983

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
COC1=CC(=C2C(=C1)SC(C(=O)N2)C3=CC=CC=C3)N
InChI
InChI=1S/C15H14N2O2S/c1-19-10-7-11(16)13-12(8-10)20-14(15(18)17-13)9-5-3-2-4-6-9/h2-8,14H,16H2,1H3,(H,17,18)
InChIKey
KIGDNBLEFRNTQM-UHFFFAOYSA-N
Compound name
5-amino-7-methoxy-2-phenyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 162.0
[M+Na]+ 309.06682 170.3
[M-H]- 285.07032 166.5
[M+NH4]+ 304.11142 176.9
[M+K]+ 325.04076 164.1
[M+H-H2O]+ 269.07486 154.4
[M+HCOO]- 331.07580 176.1
[M+CH3COO]- 345.09145 172.7
[M+Na-2H]- 307.05227 164.8
[M]+ 286.07705 160.5
[M]- 286.07815 160.5
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.