CID 135562707

Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-n-[4-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1h-pyrazol-3-yl]amino]phenyl]-

Structural Information

Molecular Formula
C35H41Cl3N4O3
SMILES
CCC(C(=O)NC1=CC=C(C=C1)N=C2CC(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C35H41Cl3N4O3/c1-8-28(45-29-16-11-21(34(4,5)9-2)17-25(29)35(6,7)10-3)33(44)40-24-14-12-23(13-15-24)39-30-20-31(43)42(41-30)32-26(37)18-22(36)19-27(32)38/h11-19,28H,8-10,20H2,1-7H3,(H,39,41)(H,40,44)
InChIKey
FYAOGNRWPBKGSM-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

670.2244 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.23168 263.5
[M+Na]+ 693.21362 267.5
[M-H]- 669.21712 271.4
[M+NH4]+ 688.25822 264.0
[M+K]+ 709.18756 260.0
[M+H-H2O]+ 653.22166 252.8
[M+HCOO]- 715.22260 261.6
[M+CH3COO]- 729.23825 274.9
[M+Na-2H]- 691.19907 255.5
[M]+ 670.22385 269.6
[M]- 670.22495 269.6
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.