CID 6482616

Chembl161909

Structural Information

Molecular Formula
C24H38ClN3O2
SMILES
CCC1=C(C(=NN1CCN(C)C)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl
InChI
InChI=1S/C24H38ClN3O2/c1-6-22-20(23(7-2)28(26-22)16-15-27(3)4)12-10-8-9-11-17-30-24-14-13-19(29-5)18-21(24)25/h13-14,18H,6-12,15-17H2,1-5H3
InChIKey
MHYMRRLIJJOMKS-UHFFFAOYSA-N
Compound name
2-[4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethylpyrazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

435.26526 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.27254 212.4
[M+Na]+ 458.25448 218.7
[M-H]- 434.25798 217.0
[M+NH4]+ 453.29908 223.2
[M+K]+ 474.22842 213.1
[M+H-H2O]+ 418.26252 202.2
[M+HCOO]- 480.26346 228.6
[M+CH3COO]- 494.27911 238.3
[M+Na-2H]- 456.23993 208.2
[M]+ 435.26471 224.0
[M]- 435.26581 224.0
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.