CID 60034

Brn 5982687

Structural Information

Molecular Formula
C21H27N3S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)C
InChI
InChI=1S/C21H27N3S2/c1-5-24(6-2)21(25)26-15-20(22-18-11-7-16(3)8-12-18)23-19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKey
FWLCYOBOLHJMCL-UHFFFAOYSA-N
Compound name
[2-(4-methylanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.16464 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17192 190.4
[M+Na]+ 408.15386 200.4
[M+NH4]+ 403.19846 198.5
[M+K]+ 424.12780 188.8
[M-H]- 384.15736 197.0
[M+Na-2H]- 406.13931 197.9
[M]+ 385.16409 194.6
[M]- 385.16519 194.6
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.