CID 24709929

4-cyano-n-(2-methoxyethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
COCCNS(=O)(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H12N2O3S/c1-15-7-6-12-16(13,14)10-4-2-9(8-11)3-5-10/h2-5,12H,6-7H2,1H3
InChIKey
ZFBAXVDFTYHDLQ-UHFFFAOYSA-N
Compound name
4-cyano-N-(2-methoxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.05687 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.064146 158.3
[M+Na]+ 263.046088 167.9
[M-H]- 239.049594 162.1
[M+NH4]+ 258.090693 174.3
[M+K]+ 279.020028 165.2
[M+H-H2O]+ 223.054130 145.6
[M+HCOO]- 285.055071 174.1
[M+CH3COO]- 299.070721 201.5
[M+Na-2H]- 261.031536 162.3
[M]+ 240.05632142 157.0
[M]- 240.05741858 157.0
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.