CID 15679

Carbasulam

Structural Information

Molecular Formula
C10H12N2O6S
SMILES
COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C10H12N2O6S/c1-17-9(13)11-7-3-5-8(6-4-7)19(15,16)12-10(14)18-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKey
ZTFLDKYLDUZSMN-UHFFFAOYSA-N
Compound name
methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4975
Patents

288.0416 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04888 159.5
[M+Na]+ 311.03082 165.7
[M-H]- 287.03432 163.2
[M+NH4]+ 306.07542 174.5
[M+K]+ 327.00476 164.6
[M+H-H2O]+ 271.03886 152.5
[M+HCOO]- 333.03980 178.7
[M+CH3COO]- 347.05545 198.1
[M+Na-2H]- 309.01627 163.5
[M]+ 288.04105 164.2
[M]- 288.04215 164.2
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.