CID 3059165

76195-73-8

Structural Information

Molecular Formula
C31H25Cl2N3O2
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=CC=C6Cl)Cl
InChI
InChI=1S/C31H25Cl2N3O2/c1-37-21-14-10-19(11-15-21)27-18-28(36(35-27)31-24(32)7-5-8-25(31)33)29-23-6-3-4-9-26(23)34-30(29)20-12-16-22(38-2)17-13-20/h3-17,28,34H,18H2,1-2H3
InChIKey
IMSQFBABLFVSFQ-UHFFFAOYSA-N
Compound name
3-[2-(2,6-dichlorophenyl)-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

541.1324 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.13968 232.4
[M+Na]+ 564.12162 242.9
[M-H]- 540.12512 244.0
[M+NH4]+ 559.16622 238.3
[M+K]+ 580.09556 232.7
[M+H-H2O]+ 524.12966 219.3
[M+HCOO]- 586.13060 240.1
[M+CH3COO]- 600.14625 239.4
[M+Na-2H]- 562.10707 226.7
[M]+ 541.13185 238.7
[M]- 541.13295 238.7
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.