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 183.8
[M+Na]+ 380.12255 186.9
[M-H]- 356.12605 191.2
[M+NH4]+ 375.16715 197.1
[M+K]+ 396.09649 180.9
[M+H-H2O]+ 340.13059 174.2
[M+HCOO]- 402.13153 198.5
[M+CH3COO]- 416.14718 222.6
[M+Na-2H]- 378.10800 184.3
[M]+ 357.13278 185.5
[M]- 357.13388 185.5
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.