CID 458063

N-(6-sulfanilylmetanilyl)propionamide

Structural Information

Molecular Formula
C15H17N3O5S2
SMILES
CCC(=O)NS(=O)(=O)C1=C(C=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H17N3O5S2/c1-2-15(19)18-25(22,23)14-9-11(17)5-8-13(14)24(20,21)12-6-3-10(16)4-7-12/h3-9H,2,16-17H2,1H3,(H,18,19)
InChIKey
BBSIGWQKBYAACR-UHFFFAOYSA-N
Compound name
N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.06097 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06825 185.0
[M+Na]+ 406.05019 191.0
[M-H]- 382.05369 189.7
[M+NH4]+ 401.09479 195.0
[M+K]+ 422.02413 184.8
[M+H-H2O]+ 366.05823 176.8
[M+HCOO]- 428.05917 197.0
[M+CH3COO]- 442.07482 218.8
[M+Na-2H]- 404.03564 188.0
[M]+ 383.06042 185.6
[M]- 383.06152 185.6
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.