CID 3046922

Morpholine, 4-(2-((4-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H25N3O3
SMILES
COC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O3/c1-26-20-9-7-18(8-10-20)21-17-25(19-5-3-2-4-6-19)23-22(21)28-16-13-24-11-14-27-15-12-24/h2-10,17H,11-16H2,1H3
InChIKey
DGDZMTLNHJAONT-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.196876 191.3
[M+Na]+ 402.178818 196.2
[M-H]- 378.182324 199.7
[M+NH4]+ 397.223423 198.2
[M+K]+ 418.152758 192.1
[M+H-H2O]+ 362.186860 178.6
[M+HCOO]- 424.187801 207.4
[M+CH3COO]- 438.203451 199.7
[M+Na-2H]- 400.164266 191.9
[M]+ 379.18905142 191.4
[M]- 379.19014858 191.4
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.