CID 480297

N-butyl-2-[[2-(butylcarbamoyl)-5-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H26F6N2O2S2
SMILES
CCCCNC(=O)C1=C(C=C(C=C1)C(F)(F)F)SSC2=C(C=CC(=C2)C(F)(F)F)C(=O)NCCCC
InChI
InChI=1S/C24H26F6N2O2S2/c1-3-5-11-31-21(33)17-9-7-15(23(25,26)27)13-19(17)35-36-20-14-16(24(28,29)30)8-10-18(20)22(34)32-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
QDKIZPJFVHKKGA-UHFFFAOYSA-N
Compound name
N-butyl-2-[[2-(butylcarbamoyl)-5-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.134 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.14128 220.5
[M+Na]+ 575.12322 224.4
[M-H]- 551.12672 217.0
[M+NH4]+ 570.16782 225.1
[M+K]+ 591.09716 215.4
[M+H-H2O]+ 535.13126 206.1
[M+HCOO]- 597.13220 221.8
[M+CH3COO]- 611.14785 251.2
[M+Na-2H]- 573.10867 215.6
[M]+ 552.13345 218.0
[M]- 552.13455 218.0
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.