CID 3080063

Brn 4254579

Structural Information

Molecular Formula
C13H16N2S2
SMILES
C1CC(=S)N(C1)CC(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2S2/c16-12(10-15-8-4-7-13(15)17)14-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)
InChIKey
XILVAHDUUXIJSI-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08278 158.0
[M+Na]+ 287.06472 167.6
[M+NH4]+ 282.10932 166.9
[M+K]+ 303.03866 158.5
[M-H]- 263.06822 161.9
[M+Na-2H]- 285.05017 163.1
[M]+ 264.07495 161.2
[M]- 264.07605 161.2
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.