CID 11410155

Benzeneacetamide, n-[4-[1-acetyl-5-(2,6-dichlorophenyl)-4,5-dihydro-1h-pyrazol-3-yl]phenyl]-4-chloro-a-(1-methylethyl)-

Structural Information

Molecular Formula
C28H26Cl3N3O2
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=C(C=CC=C4Cl)Cl)C(=O)C
InChI
InChI=1S/C28H26Cl3N3O2/c1-16(2)26(19-7-11-20(29)12-8-19)28(36)32-21-13-9-18(10-14-21)24-15-25(34(33-24)17(3)35)27-22(30)5-4-6-23(27)31/h4-14,16,25-26H,15H2,1-3H3,(H,32,36)
InChIKey
ZGZABKJBMGCKFT-UHFFFAOYSA-N
Compound name
N-[4-[2-acetyl-3-(2,6-dichlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.1091 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.11638 224.9
[M+Na]+ 564.09832 231.3
[M-H]- 540.10182 233.0
[M+NH4]+ 559.14292 230.2
[M+K]+ 580.07226 223.3
[M+H-H2O]+ 524.10636 214.5
[M+HCOO]- 586.10730 226.7
[M+CH3COO]- 600.12295 230.7
[M+Na-2H]- 562.08377 216.9
[M]+ 541.10855 229.4
[M]- 541.10965 229.4
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.