CID 60037

Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester

Structural Information

Molecular Formula
C21H27N3O2S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H27N3O2S2/c1-5-24(6-2)21(27)28-15-20(22-16-7-11-18(25-3)12-8-16)23-17-9-13-19(26-4)14-10-17/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKey
WYDYSOVZDXKIMI-UHFFFAOYSA-N
Compound name
[2-(4-methoxyanilino)-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.15448 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.161756 199.7
[M+Na]+ 440.143698 202.7
[M-H]- 416.147204 207.1
[M+NH4]+ 435.188303 210.7
[M+K]+ 456.117638 197.5
[M+H-H2O]+ 400.151740 189.5
[M+HCOO]- 462.152681 213.9
[M+CH3COO]- 476.168331 234.7
[M+Na-2H]- 438.129146 198.4
[M]+ 417.15393142 205.3
[M]- 417.15502858 205.3
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.