CID 3046966

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

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-17-10-12-18(13-11-17)20-16-24(19-8-5-4-6-9-19)22-21(20)25-15-7-14-23(2)3/h4-6,8-13,16H,7,14-15H2,1-3H3
InChIKey
KNRCSHAOTQBRKH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[4-(4-methylphenyl)-1-phenylpyrazol-3-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.7
[M+Na]+ 358.18899 189.3
[M-H]- 334.19249 191.1
[M+NH4]+ 353.23359 195.6
[M+K]+ 374.16293 184.7
[M+H-H2O]+ 318.19703 171.6
[M+HCOO]- 380.19797 205.8
[M+CH3COO]- 394.21362 217.5
[M+Na-2H]- 356.17444 184.3
[M]+ 335.19922 186.4
[M]- 335.20032 186.4
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.