CID 3059164

76195-72-7

Structural Information

Molecular Formula
C31H26ClN3O2
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)Cl
InChI
InChI=1S/C31H26ClN3O2/c1-36-24-14-10-20(11-15-24)28-19-29(35(34-28)23-7-5-6-22(32)18-23)30-26-8-3-4-9-27(26)33-31(30)21-12-16-25(37-2)17-13-21/h3-18,29,33H,19H2,1-2H3
InChIKey
LBNJBNYLTAHQAP-UHFFFAOYSA-N
Compound name
3-[2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-(4-methoxyphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.17136 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.17864 228.0
[M+Na]+ 530.16058 248.0
[M+NH4]+ 525.20518 236.0
[M+K]+ 546.13452 239.7
[M-H]- 506.16408 237.9
[M+Na-2H]- 528.14603 239.6
[M]+ 507.17081 234.4
[M]- 507.17191 234.4
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.