CID 493632

Chembl278035

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
CCCOCN1C2=CC=CC=C2C(=O)NS1(=O)=O
InChI
InChI=1S/C11H14N2O4S/c1-2-7-17-8-13-10-6-4-3-5-9(10)11(14)12-18(13,15)16/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKey
IVPNVRGHLBEOEJ-UHFFFAOYSA-N
Compound name
2,2-dioxo-1-(propoxymethyl)-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0674 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 155.0
[M+Na]+ 293.05662 164.5
[M-H]- 269.06012 155.5
[M+NH4]+ 288.10122 171.7
[M+K]+ 309.03056 160.4
[M+H-H2O]+ 253.06466 148.6
[M+HCOO]- 315.06560 167.9
[M+CH3COO]- 329.08125 191.2
[M+Na-2H]- 291.04207 159.8
[M]+ 270.06685 158.2
[M]- 270.06795 158.2
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.