CID 669055

N,n-diethyl-2,4,6-trimethylbenzenesulfonamide

Structural Information

Molecular Formula
C13H21NO2S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C13H21NO2S/c1-6-14(7-2)17(15,16)13-11(4)8-10(3)9-12(13)5/h8-9H,6-7H2,1-5H3
InChIKey
MQYGYHAINHTXJH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.1293 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13658 160.1
[M+Na]+ 278.11852 171.4
[M+NH4]+ 273.16312 167.7
[M+K]+ 294.09246 163.9
[M-H]- 254.12202 162.1
[M+Na-2H]- 276.10397 165.0
[M]+ 255.12875 162.8
[M]- 255.12985 162.8
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

No patent data available for this compound.