CID 19382110

115486-31-2

Structural Information

Molecular Formula
C25H37NO2S
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C25H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-23-16-18-24(19-17-23)26-29(27,28)25-20-14-22(2)15-21-25/h14-21,26H,3-13H2,1-2H3
InChIKey
SSZBGXXIWUGPNH-UHFFFAOYSA-N
Compound name
N-(4-dodecylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

415.2545 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26178 204.8
[M+Na]+ 438.24372 208.3
[M-H]- 414.24722 209.7
[M+NH4]+ 433.28832 215.4
[M+K]+ 454.21766 201.2
[M+H-H2O]+ 398.25176 195.3
[M+HCOO]- 460.25270 220.4
[M+CH3COO]- 474.26835 228.5
[M+Na-2H]- 436.22917 204.2
[M]+ 415.25395 210.7
[M]- 415.25505 210.7
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

patents stripe