CID 3700135

N-dodecyl-2,4,6-trimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C21H37NO2S
SMILES
CCCCCCCCCCCCNS(=O)(=O)C1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C21H37NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-22-25(23,24)21-19(3)16-18(2)17-20(21)4/h16-17,22H,5-15H2,1-4H3
InChIKey
GVWMUJOYADIDQL-UHFFFAOYSA-N
Compound name
N-dodecyl-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.2545 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26178 192.2
[M+Na]+ 390.24372 196.9
[M-H]- 366.24722 194.6
[M+NH4]+ 385.28832 205.6
[M+K]+ 406.21766 191.2
[M+H-H2O]+ 350.25176 184.5
[M+HCOO]- 412.25270 207.5
[M+CH3COO]- 426.26835 222.3
[M+Na-2H]- 388.22917 190.3
[M]+ 367.25395 199.8
[M]- 367.25505 199.8
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.