CID 5272787

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

Structural Information

Molecular Formula
C27H25ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)Cl)CCCCCCOC3=CC4=C(C=C3)C5=CC=CC=C5O4
InChI
InChI=1S/C27H25ClN2O2/c28-24-19-29-30(20-10-4-3-5-11-20)25(24)13-6-1-2-9-17-31-21-15-16-23-22-12-7-8-14-26(22)32-27(23)18-21/h3-5,7-8,10-12,14-16,18-19H,1-2,6,9,13,17H2
InChIKey
ZHZFCEGTZLYOSJ-UHFFFAOYSA-N
Compound name
4-chloro-5-(6-dibenzofuran-3-yloxyhexyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16046 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16774 210.6
[M+Na]+ 467.14968 221.3
[M-H]- 443.15318 220.6
[M+NH4]+ 462.19428 222.0
[M+K]+ 483.12362 213.4
[M+H-H2O]+ 427.15772 200.1
[M+HCOO]- 489.15866 227.3
[M+CH3COO]- 503.17431 220.5
[M+Na-2H]- 465.13513 211.7
[M]+ 444.15991 221.0
[M]- 444.16101 221.0
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.