CID 6482621

4-[6-(2,5-dichlorophenoxy)hexyl]-3,5-diethyl-1h-pyrazole

Structural Information

Molecular Formula
C19H26Cl2N2O
SMILES
CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C19H26Cl2N2O/c1-3-17-15(18(4-2)23-22-17)9-7-5-6-8-12-24-19-13-14(20)10-11-16(19)21/h10-11,13H,3-9,12H2,1-2H3,(H,22,23)
InChIKey
XDIJIHDNUORPTA-UHFFFAOYSA-N
Compound name
4-[6-(2,5-dichlorophenoxy)hexyl]-3,5-diethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1422 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14948 188.8
[M+Na]+ 391.13142 197.2
[M-H]- 367.13492 190.2
[M+NH4]+ 386.17602 201.5
[M+K]+ 407.10536 188.7
[M+H-H2O]+ 351.13946 180.4
[M+HCOO]- 413.14040 198.2
[M+CH3COO]- 427.15605 213.9
[M+Na-2H]- 389.11687 186.7
[M]+ 368.14165 195.2
[M]- 368.14275 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.