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]+ 366.217606 190.5
[M+Na]+ 388.199548 197.3
[M-H]- 364.203054 199.1
[M+NH4]+ 383.244153 202.3
[M+K]+ 404.173488 193.2
[M+H-H2O]+ 348.207590 179.3
[M+HCOO]- 410.208531 213.4
[M+CH3COO]- 424.224181 223.7
[M+Na-2H]- 386.184996 190.9
[M]+ 365.20978142 196.3
[M]- 365.21087858 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.