CID 387271

Nsc680921

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CCC1C(=O)NC2=C(C=C(C=C2S1)OC)N
InChI
InChI=1S/C11H14N2O2S/c1-3-8-11(14)13-10-7(12)4-6(15-2)5-9(10)16-8/h4-5,8H,3,12H2,1-2H3,(H,13,14)
InChIKey
NAHMXBUMRGFZSF-UHFFFAOYSA-N
Compound name
5-amino-2-ethyl-7-methoxy-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 150.0
[M+Na]+ 261.06682 158.5
[M-H]- 237.07032 151.5
[M+NH4]+ 256.11142 167.3
[M+K]+ 277.04076 153.8
[M+H-H2O]+ 221.07486 143.8
[M+HCOO]- 283.07580 163.7
[M+CH3COO]- 297.09145 191.6
[M+Na-2H]- 259.05227 152.0
[M]+ 238.07705 149.6
[M]- 238.07815 149.6
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.