CID 68670

Carmetizide

Structural Information

Molecular Formula
C10H12ClN3O6S2
SMILES
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)C(=O)OC
InChI
InChI=1S/C10H12ClN3O6S2/c1-14-9(10(15)20-2)13-6-3-5(11)7(21(12,16)17)4-8(6)22(14,18)19/h3-4,9,13H,1-2H3,(H2,12,16,17)
InChIKey
PFRBORHNFYMVOA-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1lambda6,2,4-benzothiadiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

38
Patents

368.9856 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.992876 169.2
[M+Na]+ 391.974818 178.8
[M-H]- 367.978324 169.2
[M+NH4]+ 387.019423 182.1
[M+K]+ 407.948758 173.4
[M+H-H2O]+ 351.982860 165.7
[M+HCOO]- 413.983801 170.7
[M+CH3COO]- 427.999451 207.5
[M+Na-2H]- 389.960266 173.1
[M]+ 368.98505142 174.1
[M]- 368.98614858 174.1
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

patents stripe