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]+ 418.16176 196.5
[M+Na]+ 440.14370 205.4
[M+NH4]+ 435.18830 203.4
[M+K]+ 456.11764 194.9
[M-H]- 416.14720 202.0
[M+Na-2H]- 438.12915 203.2
[M]+ 417.15393 200.1
[M]- 417.15503 200.1
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.