CID 11340459

N-[4-(1-acetyl-5-phenyl-4,5-dihydro-1h-pyrazol-3-yl)-phenyl]-2-(4-chloro-phenyl)-3-methyl-butyramide

Structural Information

Molecular Formula
C28H28ClN3O2
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=O)C
InChI
InChI=1S/C28H28ClN3O2/c1-18(2)27(22-9-13-23(29)14-10-22)28(34)30-24-15-11-20(12-16-24)25-17-26(32(31-25)19(3)33)21-7-5-4-6-8-21/h4-16,18,26-27H,17H2,1-3H3,(H,30,34)
InChIKey
LVIHBYKWRHAWKQ-UHFFFAOYSA-N
Compound name
N-[4-(2-acetyl-3-phenyl-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

473.187 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.19428 216.1
[M+Na]+ 496.17622 220.3
[M-H]- 472.17972 225.7
[M+NH4]+ 491.22082 222.6
[M+K]+ 512.15016 213.2
[M+H-H2O]+ 456.18426 204.6
[M+HCOO]- 518.18520 228.0
[M+CH3COO]- 532.20085 238.5
[M+Na-2H]- 494.16167 210.7
[M]+ 473.18645 217.3
[M]- 473.18755 217.3
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.