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]+ 382.212506 193.2
[M+Na]+ 404.194448 199.8
[M-H]- 380.197954 201.9
[M+NH4]+ 399.239053 204.3
[M+K]+ 420.168388 196.5
[M+H-H2O]+ 364.202490 181.9
[M+HCOO]- 426.203431 216.3
[M+CH3COO]- 440.219081 225.7
[M+Na-2H]- 402.179896 193.8
[M]+ 381.20468142 200.4
[M]- 381.20577858 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.