CID 3059160

76195-68-1

Structural Information

Molecular Formula
C32H29N3O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C6=CC=CC=C6OC
InChI
InChI=1S/C32H29N3O3/c1-36-23-16-12-21(13-17-23)27-20-29(35(34-27)28-10-6-7-11-30(28)38-3)31-25-8-4-5-9-26(25)33-32(31)22-14-18-24(37-2)19-15-22/h4-19,29,33H,20H2,1-3H3
InChIKey
FFXQOAOTGXAHQE-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.2209 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.22818 228.1
[M+Na]+ 526.21012 246.6
[M+NH4]+ 521.25472 235.2
[M+K]+ 542.18406 239.7
[M-H]- 502.21362 237.6
[M+Na-2H]- 524.19557 239.2
[M]+ 503.22035 233.8
[M]- 503.22145 233.8
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.