CID 84479

14497-03-1

Structural Information

Molecular Formula
C12H18N4O4S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)N(CCC(=O)N)CCC(=O)N
InChI
InChI=1S/C12H18N4O4S/c13-9-1-3-10(4-2-9)21(19,20)16(7-5-11(14)17)8-6-12(15)18/h1-4H,5-8,13H2,(H2,14,17)(H2,15,18)
InChIKey
ZHZLFUXAZNZHIH-UHFFFAOYSA-N
Compound name
3-[(3-amino-3-oxopropyl)-(4-aminophenyl)sulfonylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1049 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11218 169.1
[M+Na]+ 337.09412 173.2
[M+NH4]+ 332.13872 172.6
[M+K]+ 353.06806 170.4
[M-H]- 313.09762 168.9
[M+Na-2H]- 335.07957 170.9
[M]+ 314.10435 169.3
[M]- 314.10545 169.3
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

No patent data available for this compound.