CID 5272783

5-(6-dibenzofuran-3-yloxyhexyl)-1-phenyl-pyrazole

Structural Information

Molecular Formula
C27H26N2O2
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)CCCCCCOC3=CC4=C(C=C3)C5=CC=CC=C5O4
InChI
InChI=1S/C27H26N2O2/c1(4-12-22-17-18-28-29(22)21-10-5-3-6-11-21)2-9-19-30-23-15-16-25-24-13-7-8-14-26(24)31-27(25)20-23/h3,5-8,10-11,13-18,20H,1-2,4,9,12,19H2
InChIKey
YEWIRDFJUOFQFY-UHFFFAOYSA-N
Compound name
5-(6-dibenzofuran-3-yloxyhexyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.19943 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20671 200.8
[M+Na]+ 433.18865 209.9
[M-H]- 409.19215 210.9
[M+NH4]+ 428.23325 212.5
[M+K]+ 449.16259 203.4
[M+H-H2O]+ 393.19669 190.3
[M+HCOO]- 455.19763 222.3
[M+CH3COO]- 469.21328 211.1
[M+Na-2H]- 431.17410 203.5
[M]+ 410.19888 208.6
[M]- 410.19998 208.6
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.