CID 12673073

4-methyl-n-[2-(methylamino)ethyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCNC
InChI
InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-7-11-2/h3-6,11-12H,7-8H2,1-2H3
InChIKey
HLYVWZHMJOYQDG-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.09325 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 148.6
[M+Na]+ 251.08247 155.6
[M-H]- 227.08597 152.3
[M+NH4]+ 246.12707 166.7
[M+K]+ 267.05641 152.2
[M+H-H2O]+ 211.09051 142.1
[M+HCOO]- 273.09145 168.6
[M+CH3COO]- 287.10710 191.9
[M+Na-2H]- 249.06792 153.8
[M]+ 228.09270 150.7
[M]- 228.09380 150.7
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

patents stripe