CID 3046978

1-propanamine, 3-((4-(4-chlorophenyl)-1-(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)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24ClN3O2/c1-24(2)13-4-14-27-21-20(16-5-7-17(22)8-6-16)15-25(23-21)18-9-11-19(26-3)12-10-18/h5-12,15H,4,13-14H2,1-3H3
InChIKey
WAGBMZANDDCHLB-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)-1-(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 193.2
[M+Na]+ 408.14492 201.2
[M-H]- 384.14842 201.7
[M+NH4]+ 403.18952 205.1
[M+K]+ 424.11886 195.7
[M+H-H2O]+ 368.15296 182.4
[M+HCOO]- 430.15390 211.7
[M+CH3COO]- 444.16955 224.2
[M+Na-2H]- 406.13037 193.5
[M]+ 385.15515 200.9
[M]- 385.15625 200.9
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.