CID 593572

4-amino-n-ethylbenzenesulfonamide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H12N2O2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3
InChIKey
FDZPXCJOUIWRII-UHFFFAOYSA-N
Compound name
4-amino-N-ethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

200.06195 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 140.2
[M+Na]+ 223.05117 148.0
[M-H]- 199.05467 143.7
[M+NH4]+ 218.09577 159.1
[M+K]+ 239.02511 144.7
[M+H-H2O]+ 183.05921 134.1
[M+HCOO]- 245.06015 160.1
[M+CH3COO]- 259.07580 185.2
[M+Na-2H]- 221.03662 145.3
[M]+ 200.06140 140.5
[M]- 200.06250 140.5
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