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]+ 380.19688 191.3
[M+Na]+ 402.17882 196.2
[M-H]- 378.18232 199.7
[M+NH4]+ 397.22342 198.2
[M+K]+ 418.15276 192.1
[M+H-H2O]+ 362.18686 178.6
[M+HCOO]- 424.18780 207.4
[M+CH3COO]- 438.20345 199.7
[M+Na-2H]- 400.16427 191.9
[M]+ 379.18905 191.4
[M]- 379.19015 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.