CID 60033

105858-89-7

Structural Information

Molecular Formula
C21H27N3OS2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OCC)NC2=CC=CC=C2
InChI
InChI=1S/C21H27N3OS2/c1-4-24(5-2)21(26)27-16-20(22-17-10-8-7-9-11-17)23-18-12-14-19(15-13-18)25-6-3/h7-15H,4-6,16H2,1-3H3,(H,22,23)
InChIKey
VBOBICYJIZDBSY-UHFFFAOYSA-N
Compound name
[2-anilino-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.15955 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16683 192.6
[M+Na]+ 424.14877 201.7
[M+NH4]+ 419.19337 200.1
[M+K]+ 440.12271 190.5
[M-H]- 400.15227 198.5
[M+Na-2H]- 422.13422 199.9
[M]+ 401.15900 196.3
[M]- 401.16010 196.3
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.