CID 3046908

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

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1COCCN1CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c1-3-7-18(8-4-1)20-17-24(19-9-5-2-6-10-19)22-21(20)26-16-13-23-11-14-25-15-12-23/h1-10,17H,11-16H2
InChIKey
JXSKTJWLHJNXNU-UHFFFAOYSA-N
Compound name
4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 183.4
[M+Na]+ 372.168238 188.0
[M-H]- 348.171744 191.5
[M+NH4]+ 367.212843 191.3
[M+K]+ 388.142178 183.4
[M+H-H2O]+ 332.176280 170.8
[M+HCOO]- 394.177221 199.7
[M+CH3COO]- 408.192871 192.1
[M+Na-2H]- 370.153686 185.2
[M]+ 349.17847142 181.4
[M]- 349.17956858 181.4
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.