CID 59550875

942410-48-2

Structural Information

Molecular Formula

C₉H₁₄N₂OS

SMILES

CCN=S(=O)(C)C1=CC=C(C=C1)N

InChI

InChI=1S/C9H14N2OS/c1-3-11-13(2,12)9-6-4-8(10)5-7-9/h4-7H,3,10H2,1-2H3

InChIKey

NXLWXTNEFCGRHZ-UHFFFAOYSA-N

Compound name

4-(N-ethyl-S-methylsulfonimidoyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 198.08269 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.08997	141.3
[M+Na]+	221.07191	149.5
[M-H]-	197.07541	146.3
[M+NH4]+	216.11651	161.3
[M+K]+	237.04585	146.4
[M+H-H2O]+	181.07995	135.1
[M+HCOO]-	243.08089	162.3
[M+CH3COO]-	257.09654	188.0
[M+Na-2H]-	219.05736	146.2
[M]+	198.08214	142.4
[M]-	198.08324	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe