CID 383978

Nsc672981

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
CC1C(=O)NC2=C(C=C(C=C2S1)OC)NC=O
InChI
InChI=1S/C11H12N2O3S/c1-6-11(15)13-10-8(12-5-14)3-7(16-2)4-9(10)17-6/h3-6H,1-2H3,(H,12,14)(H,13,15)
InChIKey
AZNQKBWNRQXRAB-UHFFFAOYSA-N
Compound name
N-(7-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.05687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 151.5
[M+Na]+ 275.04609 160.0
[M-H]- 251.04959 153.5
[M+NH4]+ 270.09069 168.3
[M+K]+ 291.02003 155.7
[M+H-H2O]+ 235.05413 145.2
[M+HCOO]- 297.05507 166.3
[M+CH3COO]- 311.07072 193.6
[M+Na-2H]- 273.03154 154.8
[M]+ 252.05632 152.8
[M]- 252.05742 152.8
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.