CID 47003111

1251923-55-3

Structural Information

Molecular Formula
C9H10N2O4S
SMILES
COC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C9H10N2O4S/c1-15-9(12)8-10-6-4-2-3-5-7(6)16(13,14)11-8/h2-5,8,10-11H,1H3
InChIKey
VMJNJQAMISKIID-UHFFFAOYSA-N
Compound name
methyl 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04341 147.5
[M+Na]+ 265.02535 156.4
[M-H]- 241.02885 146.7
[M+NH4]+ 260.06995 164.4
[M+K]+ 280.99929 152.4
[M+H-H2O]+ 225.03339 141.8
[M+HCOO]- 287.03433 158.6
[M+CH3COO]- 301.04998 181.9
[M+Na-2H]- 263.01080 152.5
[M]+ 242.03558 147.3
[M]- 242.03668 147.3
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

patents stripe