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]+ 239.048486 146.9
[M+Na]+ 261.030428 155.0
[M-H]- 237.033934 148.7
[M+NH4]+ 256.075033 164.0
[M+K]+ 277.004368 150.9
[M+H-H2O]+ 221.038470 140.5
[M+HCOO]- 283.039411 162.1
[M+CH3COO]- 297.055061 189.4
[M+Na-2H]- 259.015876 151.3
[M]+ 238.04066142 147.5
[M]- 238.04175858 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.