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]+ 256.136576 156.1
[M+Na]+ 278.118518 164.6
[M-H]- 254.122024 161.8
[M+NH4]+ 273.163123 174.8
[M+K]+ 294.092458 162.2
[M+H-H2O]+ 238.126560 150.0
[M+HCOO]- 300.127501 174.7
[M+CH3COO]- 314.143151 201.7
[M+Na-2H]- 276.103966 157.6
[M]+ 255.12875142 162.3
[M]- 255.12984858 162.3
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.