CID 60038

Brn 6006443

Structural Information

Molecular Formula
C22H29N3O2S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OCC)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C22H29N3O2S2/c1-5-25(6-2)22(28)29-16-21(23-17-8-12-19(26-4)13-9-17)24-18-10-14-20(15-11-18)27-7-3/h8-15H,5-7,16H2,1-4H3,(H,23,24)
InChIKey
IEIRTQHMYQQWSP-UHFFFAOYSA-N
Compound name
[2-(4-ethoxyphenyl)imino-2-(4-methoxyanilino)ethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.1701 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17738 203.7
[M+Na]+ 454.15932 206.3
[M-H]- 430.16282 210.9
[M+NH4]+ 449.20392 214.2
[M+K]+ 470.13326 200.9
[M+H-H2O]+ 414.16736 193.4
[M+HCOO]- 476.16830 217.7
[M+CH3COO]- 490.18395 237.5
[M+Na-2H]- 452.14477 202.0
[M]+ 431.16955 209.7
[M]- 431.17065 209.7
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.