CID 11213420

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

Structural Information

Molecular Formula
C26H26ClN3O3
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CO4)C(=O)C
InChI
InChI=1S/C26H26ClN3O3/c1-16(2)25(19-6-10-20(27)11-7-19)26(32)28-21-12-8-18(9-13-21)22-15-23(24-5-4-14-33-24)30(29-22)17(3)31/h4-14,16,23,25H,15H2,1-3H3,(H,28,32)
InChIKey
OZVYHHIGAPAMTI-UHFFFAOYSA-N
Compound name
N-[4-[2-acetyl-3-(furan-2-yl)-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

463.16626 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.17354 213.8
[M+Na]+ 486.15548 218.8
[M-H]- 462.15898 225.1
[M+NH4]+ 481.20008 221.5
[M+K]+ 502.12942 214.1
[M+H-H2O]+ 446.16352 203.9
[M+HCOO]- 508.16446 226.6
[M+CH3COO]- 522.18011 235.0
[M+Na-2H]- 484.14093 207.1
[M]+ 463.16571 217.4
[M]- 463.16681 217.4
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.