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]+ 350.18630 183.4
[M+Na]+ 372.16824 188.0
[M-H]- 348.17174 191.5
[M+NH4]+ 367.21284 191.3
[M+K]+ 388.14218 183.4
[M+H-H2O]+ 332.17628 170.8
[M+HCOO]- 394.17722 199.7
[M+CH3COO]- 408.19287 192.1
[M+Na-2H]- 370.15369 185.2
[M]+ 349.17847 181.4
[M]- 349.17957 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.