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 160.1
[M+Na]+ 292.11642 165.0
[M-H]- 268.11992 163.8
[M+NH4]+ 287.16102 177.6
[M+K]+ 308.09036 160.5
[M+H-H2O]+ 252.12446 152.6
[M+HCOO]- 314.12540 173.2
[M+CH3COO]- 328.14105 203.0
[M+Na-2H]- 290.10187 160.1
[M]+ 269.12665 165.1
[M]- 269.12775 165.1
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