CID 457464

2,2'-dithiobis(n-(2-methylfuran)benzamide)

Structural Information

Molecular Formula
C24H20N2O4S2
SMILES
C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)SSC3=CC=CC=C3C(=O)NCC4=CC=CO4
InChI
InChI=1S/C24H20N2O4S2/c27-23(25-15-17-7-5-13-29-17)19-9-1-3-11-21(19)31-32-22-12-4-2-10-20(22)24(28)26-16-18-8-6-14-30-18/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKey
JLUYBYQUBLVFKP-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.08646 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.09374 211.4
[M+Na]+ 487.07568 218.4
[M-H]- 463.07918 226.0
[M+NH4]+ 482.12028 220.7
[M+K]+ 503.04962 214.4
[M+H-H2O]+ 447.08372 204.6
[M+HCOO]- 509.08466 228.0
[M+CH3COO]- 523.10031 220.9
[M+Na-2H]- 485.06113 210.7
[M]+ 464.08591 218.7
[M]- 464.08701 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.