CID 3690224

N,n-bis-(2-ethylthio)-ethylaniline

Structural Information

Molecular Formula
C14H23NS2
SMILES
CCSCCN(CCSCC)C1=CC=CC=C1
InChI
InChI=1S/C14H23NS2/c1-3-16-12-10-15(11-13-17-4-2)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
OAZZRVDSQIMZIT-UHFFFAOYSA-N
Compound name
N,N-bis(2-ethylsulfanylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.1272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13448 160.0
[M+Na]+ 292.11642 170.4
[M+NH4]+ 287.16102 169.6
[M+K]+ 308.09036 158.6
[M-H]- 268.11992 164.1
[M+Na-2H]- 290.10187 165.7
[M]+ 269.12665 163.7
[M]- 269.12775 163.7
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