CID 84479

Propanamide, 3,3'-[[(4-aminophenyl)sulfonyl]imino]bis-

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 168.9
[M+Na]+ 337.09412 172.5
[M-H]- 313.09762 171.6
[M+NH4]+ 332.13872 181.6
[M+K]+ 353.06806 170.3
[M+H-H2O]+ 297.10216 160.6
[M+HCOO]- 359.10310 187.2
[M+CH3COO]- 373.11875 214.7
[M+Na-2H]- 335.07957 168.9
[M]+ 314.10435 168.3
[M]- 314.10545 168.3
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