CID 6445661

Benzenesulfonamide, 4-amino-n-(4-(3-oxo-3-phenyl-1-propenyl)phenyl)-, hydrate

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 188.7
[M+Na]+ 401.09304 194.6
[M-H]- 377.09654 197.5
[M+NH4]+ 396.13764 199.3
[M+K]+ 417.06698 187.6
[M+H-H2O]+ 361.10108 179.3
[M+HCOO]- 423.10202 207.0
[M+CH3COO]- 437.11767 218.2
[M+Na-2H]- 399.07849 191.7
[M]+ 378.10327 188.3
[M]- 378.10437 188.3
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.