CID 3046920

Ethanamine, n,n-dimethyl-2-((4-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-3-yl)oxy)-, monohydrochloride

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2/c1-22(2)13-14-25-20-19(16-9-11-18(24-3)12-10-16)15-23(21-20)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKey
SDZZNEXQMUWOQM-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 181.1
[M+Na]+ 360.168238 188.0
[M-H]- 336.171744 189.8
[M+NH4]+ 355.212843 193.8
[M+K]+ 376.142178 184.3
[M+H-H2O]+ 320.176280 170.1
[M+HCOO]- 382.177221 204.8
[M+CH3COO]- 396.192871 216.6
[M+Na-2H]- 358.153686 183.3
[M]+ 337.17847142 185.9
[M]- 337.17956858 185.9
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.