CID 3046980

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

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCCN(C)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H27N3O2/c1-17-6-8-18(9-7-17)21-16-25(19-10-12-20(26-4)13-11-19)23-22(21)27-15-5-14-24(2)3/h6-13,16H,5,14-15H2,1-4H3
InChIKey
QFJZVRDBERKZRP-UHFFFAOYSA-N
Compound name
3-[1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 190.5
[M+Na]+ 388.19955 197.3
[M-H]- 364.20305 199.1
[M+NH4]+ 383.24415 202.3
[M+K]+ 404.17349 193.2
[M+H-H2O]+ 348.20759 179.3
[M+HCOO]- 410.20853 213.4
[M+CH3COO]- 424.22418 223.7
[M+Na-2H]- 386.18500 190.9
[M]+ 365.20978 196.3
[M]- 365.21088 196.3
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.