CID 3067706

Methyl acetyl((4-aminophenyl)sulfonyl)carbamate

Structural Information

Molecular Formula
C10H12N2O5S
SMILES
CC(=O)N(C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H12N2O5S/c1-7(13)12(10(14)17-2)18(15,16)9-5-3-8(11)4-6-9/h3-6H,11H2,1-2H3
InChIKey
AQXRGTADPFHASO-UHFFFAOYSA-N
Compound name
methyl N-acetyl-N-(4-aminophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.0467 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.053976 156.7
[M+Na]+ 295.035918 163.2
[M-H]- 271.039424 161.5
[M+NH4]+ 290.080523 172.8
[M+K]+ 311.009858 162.7
[M+H-H2O]+ 255.043960 149.8
[M+HCOO]- 317.044901 175.5
[M+CH3COO]- 331.060551 199.2
[M+Na-2H]- 293.021366 158.8
[M]+ 272.04615142 160.4
[M]- 272.04724858 160.4
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