CID 6445661

4-(p-aminobenzensulfonammido)calcone [italian]

Structural Information

Molecular Formula
C21H18N2O3S
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C21H18N2O3S/c22-18-9-13-20(14-10-18)27(25,26)23-19-11-6-16(7-12-19)8-15-21(24)17-4-2-1-3-5-17/h1-15,23H,22H2/b15-8+
InChIKey
FPXKUIWZCBOQFI-OVCLIPMQSA-N
Compound name
4-amino-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11110 187.5
[M+Na]+ 401.09304 200.1
[M+NH4]+ 396.13764 194.0
[M+K]+ 417.06698 191.1
[M-H]- 377.09654 193.4
[M+Na-2H]- 399.07849 197.4
[M]+ 378.10327 191.4
[M]- 378.10437 191.4
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.