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]+ 336.207046 182.7
[M+Na]+ 358.188988 189.3
[M-H]- 334.192494 191.1
[M+NH4]+ 353.233593 195.6
[M+K]+ 374.162928 184.7
[M+H-H2O]+ 318.197030 171.6
[M+HCOO]- 380.197971 205.8
[M+CH3COO]- 394.213621 217.5
[M+Na-2H]- 356.174436 184.3
[M]+ 335.19922142 186.4
[M]- 335.20031858 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.