CID 168663

Methanesulfonamide, n-[2-[ethyl(3-methylphenyl)amino]ethyl]-

Structural Information

Molecular Formula
C12H20N2O2S
SMILES
CCN(CCNS(=O)(=O)C)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H20N2O2S/c1-4-14(9-8-13-17(3,15)16)12-7-5-6-11(2)10-12/h5-7,10,13H,4,8-9H2,1-3H3
InChIKey
REBPIUGTTRIAEO-UHFFFAOYSA-N
Compound name
N-[2-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

256.12454 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.131816 157.7
[M+Na]+ 279.113758 163.9
[M-H]- 255.117264 162.5
[M+NH4]+ 274.158363 175.3
[M+K]+ 295.087698 161.5
[M+H-H2O]+ 239.121800 150.6
[M+HCOO]- 301.122741 177.5
[M+CH3COO]- 315.138391 201.3
[M+Na-2H]- 277.099206 161.3
[M]+ 256.12399142 161.8
[M]- 256.12508858 161.8
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