CID 60039

105858-95-5

Structural Information

Molecular Formula
C23H31N3O2S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OCC)NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C23H31N3O2S2/c1-5-26(6-2)23(29)30-17-22(24-18-9-13-20(14-10-18)27-7-3)25-19-11-15-21(16-12-19)28-8-4/h9-16H,5-8,17H2,1-4H3,(H,24,25)
InChIKey
MYFYXBKMVQWMLB-UHFFFAOYSA-N
Compound name
[2-(4-ethoxyanilino)-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.18576 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.19304 204.6
[M+Na]+ 468.17498 213.1
[M+NH4]+ 463.21958 211.1
[M+K]+ 484.14892 202.2
[M-H]- 444.17848 210.0
[M+Na-2H]- 466.16043 210.8
[M]+ 445.18521 208.1
[M]- 445.18631 208.1
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

No patent data available for this compound.