CID 45792318

902775-91-1

Structural Information

Molecular Formula
C13H21N3O4S
SMILES
CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H21N3O4S/c1-13(2,3)20-12(17)15-8-9-16-21(18,19)11-6-4-10(14)5-7-11/h4-7,16H,8-9,14H2,1-3H3,(H,15,17)
InChIKey
RTNTUKJYLWHQSP-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(4-aminophenyl)sulfonylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

315.12527 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13255 171.4
[M+Na]+ 338.11449 175.9
[M-H]- 314.11799 174.0
[M+NH4]+ 333.15909 185.0
[M+K]+ 354.08843 173.3
[M+H-H2O]+ 298.12253 164.1
[M+HCOO]- 360.12347 188.7
[M+CH3COO]- 374.13912 208.4
[M+Na-2H]- 336.09994 175.2
[M]+ 315.12472 173.3
[M]- 315.12582 173.3
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