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]+ 273.05398 156.7
[M+Na]+ 295.03592 163.2
[M-H]- 271.03942 161.5
[M+NH4]+ 290.08052 172.8
[M+K]+ 311.00986 162.7
[M+H-H2O]+ 255.04396 149.8
[M+HCOO]- 317.04490 175.5
[M+CH3COO]- 331.06055 199.2
[M+Na-2H]- 293.02137 158.8
[M]+ 272.04615 160.4
[M]- 272.04725 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