CID 460654

4-(4-propylphenyl)sulfonylaniline

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CCCC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H17NO2S/c1-2-3-12-4-8-14(9-5-12)19(17,18)15-10-6-13(16)7-11-15/h4-11H,2-3,16H2,1H3
InChIKey
AZVIDBNUWNEQAX-UHFFFAOYSA-N
Compound name
4-(4-propylphenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

275.098 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 161.8
[M+Na]+ 298.08722 170.0
[M-H]- 274.09072 168.4
[M+NH4]+ 293.13182 178.1
[M+K]+ 314.06116 164.7
[M+H-H2O]+ 258.09526 154.6
[M+HCOO]- 320.09620 180.3
[M+CH3COO]- 334.11185 198.2
[M+Na-2H]- 296.07267 165.2
[M]+ 275.09745 163.5
[M]- 275.09855 163.5
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

patents stripe