CID 819997

N~1~,n~2~-bis(4-methylphenyl)ethanedithioamide

Structural Information

Molecular Formula
C16H16N2S2
SMILES
CC1=CC=C(C=C1)NC(=S)C(=S)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H16N2S2/c1-11-3-7-13(8-4-11)17-15(19)16(20)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
GTFPRFSORZZBKX-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methylphenyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.0755 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08278 166.1
[M+Na]+ 323.06472 172.5
[M-H]- 299.06822 172.2
[M+NH4]+ 318.10932 181.4
[M+K]+ 339.03866 165.0
[M+H-H2O]+ 283.07276 158.6
[M+HCOO]- 345.07370 179.0
[M+CH3COO]- 359.08935 206.2
[M+Na-2H]- 321.05017 166.2
[M]+ 300.07495 165.4
[M]- 300.07605 165.4
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

patents stripe