CID 135400187

61354-99-2

Structural Information

Molecular Formula
C39H48Cl4N4O4
SMILES
CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)N=C2CC(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC(=C(C=C4)O)C(C)(C)C
InChI
InChI=1S/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)45-35-24-36(49)47(46-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,45,46)
InChIKey
JQADLJKVUIDLRH-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

776.243 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 777.25028 284.6
[M+Na]+ 799.23222 295.3
[M+NH4]+ 794.27682 286.5
[M+K]+ 815.20616 286.8
[M-H]- 775.23572 288.0
[M+Na-2H]- 797.21767 286.3
[M]+ 776.24245 287.9
[M]- 776.24355 287.9
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

patents stripe