CID 69539

649-15-0

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey
AOJBACHWNDMRQP-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

295
Patents

227.098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 149.0
[M+Na]+ 250.08722 156.6
[M-H]- 226.09072 154.3
[M+NH4]+ 245.13182 168.3
[M+K]+ 266.06116 154.7
[M+H-H2O]+ 210.09526 142.7
[M+HCOO]- 272.09620 168.3
[M+CH3COO]- 286.11185 193.3
[M+Na-2H]- 248.07267 152.6
[M]+ 227.09745 153.6
[M]- 227.09855 153.6
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

patents stripe