CID 60031

105858-87-5

Structural Information

Molecular Formula
C20H25N3S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=CC=C2
InChI
InChI=1S/C20H25N3S2/c1-4-23(5-2)20(24)25-15-19(21-17-9-7-6-8-10-17)22-18-13-11-16(3)12-14-18/h6-14H,4-5,15H2,1-3H3,(H,21,22)
InChIKey
QMODFZIXFFBZNB-UHFFFAOYSA-N
Compound name
[2-anilino-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.149 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15628 185.4
[M+Na]+ 394.13822 195.3
[M+NH4]+ 389.18282 193.7
[M+K]+ 410.11216 183.8
[M-H]- 370.14172 192.0
[M+Na-2H]- 392.12367 193.4
[M]+ 371.14845 189.5
[M]- 371.14955 189.5
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.