CID 3046982

1-propanamine, 3-((1-(4-chlorophenyl)-4-(4-methoxyphenyl)-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-,monohydrochloride

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
CN(C)CCCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClN3O2/c1-24(2)13-4-14-27-21-20(16-5-11-19(26-3)12-6-16)15-25(23-21)18-9-7-17(22)8-10-18/h5-12,15H,4,13-14H2,1-3H3
InChIKey
PCDFOPVUCUWHKK-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16298 193.1
[M+Na]+ 408.14492 208.4
[M+NH4]+ 403.18952 200.6
[M+K]+ 424.11886 201.2
[M-H]- 384.14842 199.1
[M+Na-2H]- 406.13037 202.4
[M]+ 385.15515 197.4
[M]- 385.15625 197.4
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.