CID 60036

Brn 5993636

Structural Information

Molecular Formula
C22H29N3OS2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C22H29N3OS2/c1-5-25(6-2)22(27)28-16-21(23-18-10-8-17(4)9-11-18)24-19-12-14-20(15-13-19)26-7-3/h8-15H,5-7,16H2,1-4H3,(H,23,24)
InChIKey
SLBDYHWIYUUPTA-UHFFFAOYSA-N
Compound name
[2-(4-ethoxyanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.1752 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18248 197.6
[M+Na]+ 438.16442 206.8
[M+NH4]+ 433.20902 204.9
[M+K]+ 454.13836 195.6
[M-H]- 414.16792 203.5
[M+Na-2H]- 436.14987 204.4
[M]+ 415.17465 201.4
[M]- 415.17575 201.4
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.