CID 480293

2,2'-dithiobis[n-butyl-6-fluorobenzamide]

Structural Information

Molecular Formula
C22H26F2N2O2S2
SMILES
CCCCNC(=O)C1=C(C=CC=C1SSC2=CC=CC(=C2C(=O)NCCCC)F)F
InChI
InChI=1S/C22H26F2N2O2S2/c1-3-5-13-25-21(27)19-15(23)9-7-11-17(19)29-30-18-12-8-10-16(24)20(18)22(28)26-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
PTAVUZZLGFHYRH-UHFFFAOYSA-N
Compound name
N-butyl-2-[[2-(butylcarbamoyl)-3-fluorophenyl]disulfanyl]-6-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.14038 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.14766 202.0
[M+Na]+ 475.12960 206.3
[M-H]- 451.13310 204.2
[M+NH4]+ 470.17420 210.8
[M+K]+ 491.10354 197.9
[M+H-H2O]+ 435.13764 190.9
[M+HCOO]- 497.13858 210.9
[M+CH3COO]- 511.15423 235.9
[M+Na-2H]- 473.11505 197.5
[M]+ 452.13983 204.6
[M]- 452.14093 204.6
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.