CID 135854975

124773-10-0

Structural Information

Molecular Formula
C33H36Cl4N4O3
SMILES
CCC(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)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C33H36Cl4N4O3/c1-7-27(44-22-11-8-19(9-12-22)33(5,6)18-32(2,3)4)31(43)38-21-10-13-23(35)26(16-21)39-28-17-29(42)41(40-28)30-24(36)14-20(34)15-25(30)37/h8-16,27H,7,17-18H2,1-6H3,(H,38,43)(H,39,40)
InChIKey
CDIWFSQELROWJU-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.1542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.16148 260.4
[M+Na]+ 699.14342 272.4
[M+NH4]+ 694.18802 263.9
[M+K]+ 715.11736 265.3
[M-H]- 675.14692 264.3
[M+Na-2H]- 697.12887 264.6
[M]+ 676.15365 264.3
[M]- 676.15475 264.3
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.