CID 60030

Brn 5977269

Structural Information

Molecular Formula
C19H23N3S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C19H23N3S2/c1-3-22(4-2)19(23)24-15-18(20-16-11-7-5-8-12-16)21-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,20,21)
InChIKey
GHKBYUPKUSXNKN-UHFFFAOYSA-N
Compound name
(2-anilino-2-phenyliminoethyl) N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.13333 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14061 180.5
[M+Na]+ 380.12255 190.2
[M+NH4]+ 375.16715 188.9
[M+K]+ 396.09649 178.8
[M-H]- 356.12605 187.0
[M+Na-2H]- 378.10800 188.9
[M]+ 357.13278 184.6
[M]- 357.13388 184.6
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.