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 199.7
[M+Na]+ 440.14370 202.7
[M-H]- 416.14720 207.1
[M+NH4]+ 435.18830 210.7
[M+K]+ 456.11764 197.5
[M+H-H2O]+ 400.15174 189.5
[M+HCOO]- 462.15268 213.9
[M+CH3COO]- 476.16833 234.7
[M+Na-2H]- 438.12915 198.4
[M]+ 417.15393 205.3
[M]- 417.15503 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.