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
1
Annotation Hits

0
References

33
Patents

368.9856 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.99288 169.2
[M+Na]+ 391.97482 178.8
[M-H]- 367.97832 169.2
[M+NH4]+ 387.01942 182.1
[M+K]+ 407.94876 173.4
[M+H-H2O]+ 351.98286 165.7
[M+HCOO]- 413.98380 170.7
[M+CH3COO]- 427.99945 207.5
[M+Na-2H]- 389.96027 173.1
[M]+ 368.98505 174.1
[M]- 368.98615 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