CID 438709

Ethyl ((1-hydroxy-1-oxido-1.lambda.~4~,2,3-benzothiadiazin-4-yl)amino)acetate

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
CCOC(=O)CNC1=C2C=CC=CC2=S(=O)(N=N1)O
InChI
InChI=1S/C11H13N3O4S/c1-2-18-10(15)7-12-11-8-5-3-4-6-9(8)19(16,17)14-13-11/h3-6H,2,7H2,1H3,(H,12,13)(H,14,16,17)
InChIKey
FXGDIAHDFSKXIS-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-hydroxy-2-oxo-2lambda6-thia-3,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-5-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06268 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 156.8
[M+Na]+ 306.05190 167.1
[M-H]- 282.05540 158.2
[M+NH4]+ 301.09650 172.7
[M+K]+ 322.02584 163.3
[M+H-H2O]+ 266.05994 149.8
[M+HCOO]- 328.06088 173.9
[M+CH3COO]- 342.07653 195.1
[M+Na-2H]- 304.03735 164.7
[M]+ 283.06213 163.1
[M]- 283.06323 163.1
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.