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 188.1
[M+Na]+ 394.13822 191.5
[M-H]- 370.14172 195.6
[M+NH4]+ 389.18282 201.1
[M+K]+ 410.11216 185.3
[M+H-H2O]+ 354.14626 178.5
[M+HCOO]- 416.14720 202.3
[M+CH3COO]- 430.16285 226.6
[M+Na-2H]- 392.12367 187.4
[M]+ 371.14845 190.5
[M]- 371.14955 190.5
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.