CID 60035

Brn 5990809

Structural Information

Molecular Formula
C21H27N3OS2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H27N3OS2/c1-5-24(6-2)21(26)27-15-20(22-17-9-7-16(3)8-10-17)23-18-11-13-19(25-4)14-12-18/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKey
KQUSNIAIFDOOIX-UHFFFAOYSA-N
Compound name
[2-(4-methoxyanilino)-2-(4-methylphenyl)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 193.5
[M+Na]+ 424.14877 202.9
[M+NH4]+ 419.19337 201.0
[M+K]+ 440.12271 191.9
[M-H]- 400.15227 199.5
[M+Na-2H]- 422.13422 200.6
[M]+ 401.15900 197.4
[M]- 401.16010 197.4
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.