CID 3032909

33811-86-8

Structural Information

Molecular Formula
C18H20N2S2
SMILES
CC(C1=CC=CC=C1)NC(=S)C(=S)NC(C)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2S2/c1-13(15-9-5-3-6-10-15)19-17(21)18(22)20-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,19,21)(H,20,22)
InChIKey
RQPXTLOICWKHBJ-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenylethyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11406 175.1
[M+Na]+ 351.09600 178.2
[M-H]- 327.09950 180.1
[M+NH4]+ 346.14060 188.4
[M+K]+ 367.06994 171.5
[M+H-H2O]+ 311.10404 167.1
[M+HCOO]- 373.10498 185.2
[M+CH3COO]- 387.12063 211.5
[M+Na-2H]- 349.08145 173.8
[M]+ 328.10623 173.2
[M]- 328.10733 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.