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 200.9
[M+Na]+ 434.15829 202.7
[M-H]- 410.16179 206.3
[M+NH4]+ 429.20289 211.7
[M+K]+ 450.13223 195.6
[M+H-H2O]+ 394.16633 191.6
[M+HCOO]- 456.16727 210.1
[M+CH3COO]- 470.18292 227.5
[M+Na-2H]- 432.14374 196.4
[M]+ 411.16852 204.1
[M]- 411.16962 204.1
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.