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]+ 338.18630 181.1
[M+Na]+ 360.16824 188.0
[M-H]- 336.17174 189.8
[M+NH4]+ 355.21284 193.8
[M+K]+ 376.14218 184.3
[M+H-H2O]+ 320.17628 170.1
[M+HCOO]- 382.17722 204.8
[M+CH3COO]- 396.19287 216.6
[M+Na-2H]- 358.15369 183.3
[M]+ 337.17847 185.9
[M]- 337.17957 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.