CID 706313

Brn 4256064

Structural Information

Molecular Formula
C13H21N3S2
SMILES
CN1CCCCCC1=NC(=S)CN2CCCC2=S
InChI
InChI=1S/C13H21N3S2/c1-15-8-4-2-3-6-11(15)14-12(17)10-16-9-5-7-13(16)18/h2-10H2,1H3
InChIKey
CJWVDKJZEARXDT-UHFFFAOYSA-N
Compound name
N-(1-methylazepan-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.11768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12496 168.5
[M+Na]+ 306.10690 174.3
[M+NH4]+ 301.15150 175.5
[M+K]+ 322.08084 167.6
[M-H]- 282.11040 170.7
[M+Na-2H]- 304.09235 170.4
[M]+ 283.11713 170.5
[M]- 283.11823 170.5
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.