CID 185403

95473-30-6

Structural Information

Molecular Formula
C9H10N2O5S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N
InChI
InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKey
SRCPGSKDFKGYHP-UHFFFAOYSA-N
Compound name
methyl 2-(carbamoylsulfamoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

45
Patents

258.03104 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03832 152.4
[M+Na]+ 281.02026 159.2
[M-H]- 257.02376 155.8
[M+NH4]+ 276.06486 168.4
[M+K]+ 296.99420 157.3
[M+H-H2O]+ 241.02830 145.8
[M+HCOO]- 303.02924 171.0
[M+CH3COO]- 317.04489 193.6
[M+Na-2H]- 279.00571 155.5
[M]+ 258.03049 154.5
[M]- 258.03159 154.5
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.