CID 3046968

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

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CN(C)CCCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O2/c1-23(2)14-7-15-26-21-20(17-10-12-19(25-3)13-11-17)16-24(22-21)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3
InChIKey
NBVJZHDUYSEYHE-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 185.6
[M+Na]+ 374.18389 192.0
[M-H]- 350.18739 194.1
[M+NH4]+ 369.22849 197.7
[M+K]+ 390.15783 188.1
[M+H-H2O]+ 334.19193 174.4
[M+HCOO]- 396.19287 208.9
[M+CH3COO]- 410.20852 219.5
[M+Na-2H]- 372.16934 187.3
[M]+ 351.19412 190.7
[M]- 351.19522 190.7
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.