CID 60032

105858-88-6

Structural Information

Molecular Formula
C20H25N3OS2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OC)NC2=CC=CC=C2
InChI
InChI=1S/C20H25N3OS2/c1-4-23(5-2)20(25)26-15-19(21-16-9-7-6-8-10-16)22-17-11-13-18(24-3)14-12-17/h6-14H,4-5,15H2,1-3H3,(H,21,22)
InChIKey
ZZCQVBJSBNDULC-UHFFFAOYSA-N
Compound name
[2-anilino-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1439 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15118 191.9
[M+Na]+ 410.13312 195.0
[M-H]- 386.13662 199.3
[M+NH4]+ 405.17772 204.1
[M+K]+ 426.10706 189.3
[M+H-H2O]+ 370.14116 182.0
[M+HCOO]- 432.14210 206.3
[M+CH3COO]- 446.15775 228.6
[M+Na-2H]- 408.11857 191.4
[M]+ 387.14335 195.5
[M]- 387.14445 195.5
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.