CID 3046976

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

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CN(C)CCCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H27N3O3/c1-24(2)14-5-15-28-22-21(17-6-10-19(26-3)11-7-17)16-25(23-22)18-8-12-20(27-4)13-9-18/h6-13,16H,5,14-15H2,1-4H3
InChIKey
YMVYNMUOLCPALY-UHFFFAOYSA-N
Compound name
3-[1,4-bis(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

381.20523 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 193.2
[M+Na]+ 404.19445 199.8
[M-H]- 380.19795 201.9
[M+NH4]+ 399.23905 204.3
[M+K]+ 420.16839 196.5
[M+H-H2O]+ 364.20249 181.9
[M+HCOO]- 426.20343 216.3
[M+CH3COO]- 440.21908 225.7
[M+Na-2H]- 402.17990 193.8
[M]+ 381.20468 200.4
[M]- 381.20578 200.4
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.