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

14
Patents

198.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 141.3
[M+Na]+ 221.071908 149.5
[M-H]- 197.075414 146.3
[M+NH4]+ 216.116513 161.3
[M+K]+ 237.045848 146.4
[M+H-H2O]+ 181.079950 135.1
[M+HCOO]- 243.080891 162.3
[M+CH3COO]- 257.096541 188.0
[M+Na-2H]- 219.057356 146.2
[M]+ 198.08214142 142.4
[M]- 198.08323858 142.4
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