CID 3059166

76195-74-9

Structural Information

Molecular Formula
C31H24Cl3N3O2
SMILES
COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C6=C(C=C(C=C6Cl)Cl)Cl
InChI
InChI=1S/C31H24Cl3N3O2/c1-38-21-11-7-18(8-12-21)27-17-28(37(36-27)31-24(33)15-20(32)16-25(31)34)29-23-5-3-4-6-26(23)35-30(29)19-9-13-22(39-2)14-10-19/h3-16,28,35H,17H2,1-2H3
InChIKey
NYONMZSCXZEJJG-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2,4,6-trichlorophenyl)-3,4-dihydropyrazol-3-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.0934 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.10068 237.5
[M+Na]+ 598.08262 248.7
[M-H]- 574.08612 247.8
[M+NH4]+ 593.12722 242.6
[M+K]+ 614.05656 238.8
[M+H-H2O]+ 558.09066 224.5
[M+HCOO]- 620.09160 239.9
[M+CH3COO]- 634.10725 243.7
[M+Na-2H]- 596.06807 230.3
[M]+ 575.09285 244.8
[M]- 575.09395 244.8
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.