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 191.1
[M+Na]+ 403.14507 196.6
[M-H]- 379.14857 201.1
[M+NH4]+ 398.18967 202.5
[M+K]+ 419.11901 190.8
[M+H-H2O]+ 363.15311 181.2
[M+HCOO]- 425.15405 209.9
[M+CH3COO]- 439.16970 223.4
[M+Na-2H]- 401.13052 193.7
[M]+ 380.15530 192.9
[M]- 380.15640 192.9
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.