CID 487097

2-[4-(4-aminophenyl)sulfonylanilino]acetamide

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N
InChI
InChI=1S/C14H15N3O3S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)17-9-14(16)18/h1-8,17H,9,15H2,(H2,16,18)
InChIKey
QMMLFTULYZROFN-UHFFFAOYSA-N
Compound name
2-[4-(4-aminophenyl)sulfonylanilino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0834 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.090676 166.8
[M+Na]+ 328.072618 173.1
[M-H]- 304.076124 172.6
[M+NH4]+ 323.117223 180.3
[M+K]+ 344.046558 168.2
[M+H-H2O]+ 288.080660 158.8
[M+HCOO]- 350.081601 186.1
[M+CH3COO]- 364.097251 207.4
[M+Na-2H]- 326.058066 170.1
[M]+ 305.08285142 165.6
[M]- 305.08394858 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.