CID 459440

N-[2-[4-(4-butylphenoxy)phenyl]-5-hydroxy-pyrazol-3-yl]-3,5-dimethoxy-benzamide

Structural Information

Molecular Formula
C28H29N3O5
SMILES
CCCCC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=CC(=O)N3)NC(=O)C4=CC(=CC(=C4)OC)OC
InChI
InChI=1S/C28H29N3O5/c1-4-5-6-19-7-11-22(12-8-19)36-23-13-9-21(10-14-23)31-26(18-27(32)30-31)29-28(33)20-15-24(34-2)17-25(16-20)35-3/h7-18H,4-6H2,1-3H3,(H,29,33)(H,30,32)
InChIKey
WFSJYLMBONXOKX-UHFFFAOYSA-N
Compound name
N-[2-[4-(4-butylphenoxy)phenyl]-5-oxo-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.21072 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.21800 218.6
[M+Na]+ 510.19994 224.2
[M-H]- 486.20344 227.9
[M+NH4]+ 505.24454 223.2
[M+K]+ 526.17388 218.4
[M+H-H2O]+ 470.20798 206.1
[M+HCOO]- 532.20892 238.1
[M+CH3COO]- 546.22457 239.8
[M+Na-2H]- 508.18539 216.4
[M]+ 487.21017 223.3
[M]- 487.21127 223.3
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.