CID 113148

63217-26-5

Structural Information

Molecular Formula
C22H24N2O2S
SMILES
CC1=CC=C(C=C1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C22H24N2O2S/c1-18-9-13-21(14-10-18)24(17-5-8-19-6-3-2-4-7-19)27(25,26)22-15-11-20(23)12-16-22/h2-4,6-7,9-16H,5,8,17,23H2,1H3
InChIKey
UVRKWARRCHCTCV-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methylphenyl)-N-(3-phenylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15585 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16313 190.3
[M+Na]+ 403.14507 203.8
[M+NH4]+ 398.18967 198.2
[M+K]+ 419.11901 193.7
[M-H]- 379.14857 197.7
[M+Na-2H]- 401.13052 201.2
[M]+ 380.15530 194.9
[M]- 380.15640 194.9
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.