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 207.8
[M+Na]+ 468.17498 209.9
[M-H]- 444.17848 214.8
[M+NH4]+ 463.21958 217.7
[M+K]+ 484.14892 204.3
[M+H-H2O]+ 428.18302 197.2
[M+HCOO]- 490.18396 221.4
[M+CH3COO]- 504.19961 240.4
[M+Na-2H]- 466.16043 205.6
[M]+ 445.18521 214.1
[M]- 445.18631 214.1
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.