CID 135832080

75202-23-2

Structural Information

Molecular Formula
C34H36Cl4N4O4
SMILES
CC(COC1=C(C=C(C=C1)C(C)(C)C)C2CCCC2)OC(=O)NC3=CC(=C(C=C3)Cl)N=C4CC(=O)N(N4)C5=C(C=C(C=C5Cl)Cl)Cl
InChI
InChI=1S/C34H36Cl4N4O4/c1-19(18-45-29-12-9-21(34(2,3)4)13-24(29)20-7-5-6-8-20)46-33(44)39-23-10-11-25(36)28(16-23)40-30-17-31(43)42(41-30)32-26(37)14-22(35)15-27(32)38/h9-16,19-20H,5-8,17-18H2,1-4H3,(H,39,44)(H,40,41)
InChIKey
KSNIHZDEEVGMEJ-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-2-cyclopentylphenoxy)propan-2-yl N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.14905 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.15633 265.4
[M+Na]+ 727.13827 268.9
[M-H]- 703.14177 274.6
[M+NH4]+ 722.18287 266.1
[M+K]+ 743.11221 262.8
[M+H-H2O]+ 687.14631 254.9
[M+HCOO]- 749.14725 259.6
[M+CH3COO]- 763.16290 272.8
[M+Na-2H]- 725.12372 253.0
[M]+ 704.14850 269.0
[M]- 704.14960 269.0
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.