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 156.1
[M+Na]+ 278.11852 164.6
[M-H]- 254.12202 161.8
[M+NH4]+ 273.16312 174.8
[M+K]+ 294.09246 162.2
[M+H-H2O]+ 238.12656 150.0
[M+HCOO]- 300.12750 174.7
[M+CH3COO]- 314.14315 201.7
[M+Na-2H]- 276.10397 157.6
[M]+ 255.12875 162.3
[M]- 255.12985 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.