CID 6435747

Brn 5611518

Structural Information

Molecular Formula
C24H29NOS2
SMILES
CCCCN(CCCC)C(=S)S/C(=C/C(=O)C1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C24H29NOS2/c1-3-5-17-25(18-6-4-2)24(27)28-23(21-15-11-8-12-16-21)19-22(26)20-13-9-7-10-14-20/h7-16,19H,3-6,17-18H2,1-2H3/b23-19+
InChIKey
PTQLXRCRSDAEBG-FCDQGJHFSA-N
Compound name
[(E)-3-oxo-1,3-diphenylprop-1-enyl] N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16907 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17635 196.1
[M+Na]+ 434.15829 206.0
[M+NH4]+ 429.20289 203.5
[M+K]+ 450.13223 194.3
[M-H]- 410.16179 200.7
[M+Na-2H]- 432.14374 202.6
[M]+ 411.16852 199.7
[M]- 411.16962 199.7
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.