CID 382797

Nsc670522

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
COC1=CC(=C2C(=C1)SCC(=O)N2)NC=O
InChI
InChI=1S/C10H10N2O3S/c1-15-6-2-7(11-5-13)10-8(3-6)16-4-9(14)12-10/h2-3,5H,4H2,1H3,(H,11,13)(H,12,14)
InChIKey
ORLHIJMPZVLWSS-UHFFFAOYSA-N
Compound name
N-(7-methoxy-3-oxo-4H-1,4-benzothiazin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 146.9
[M+Na]+ 261.03043 155.0
[M-H]- 237.03393 148.7
[M+NH4]+ 256.07503 164.0
[M+K]+ 277.00437 150.9
[M+H-H2O]+ 221.03847 140.5
[M+HCOO]- 283.03941 162.1
[M+CH3COO]- 297.05506 189.4
[M+Na-2H]- 259.01588 151.3
[M]+ 238.04066 147.5
[M]- 238.04176 147.5
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.