CID 3059161

76195-69-2

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=C6)OC
InChI
InChI=1S/C32H29N3O3/c1-36-24-15-11-21(12-16-24)29-20-30(35(34-29)23-7-6-8-26(19-23)38-3)31-27-9-4-5-10-28(27)33-32(31)22-13-17-25(37-2)18-14-22/h4-19,30,33H,20H2,1-3H3
InChIKey
XCPBQVQPUQERIL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-[2-(3-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 224.2
[M+Na]+ 526.21012 232.1
[M-H]- 502.21362 236.9
[M+NH4]+ 521.25472 229.7
[M+K]+ 542.18406 223.8
[M+H-H2O]+ 486.21816 211.2
[M+HCOO]- 548.21910 241.5
[M+CH3COO]- 562.23475 231.8
[M+Na-2H]- 524.19557 220.5
[M]+ 503.22035 227.6
[M]- 503.22145 227.6
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.