CID 3070779

3-phenyl-5-morpholinoethoxypyrazole

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1COCCN1CCOC2=NNC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)14-12-15(17-16-14)20-11-8-18-6-9-19-10-7-18/h1-5,12H,6-11H2,(H,16,17)
InChIKey
ADXFHPJOLYKRJV-UHFFFAOYSA-N
Compound name
4-[2-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 162.7
[M+Na]+ 296.13696 167.4
[M-H]- 272.14046 166.6
[M+NH4]+ 291.18156 173.6
[M+K]+ 312.11090 164.0
[M+H-H2O]+ 256.14500 152.1
[M+HCOO]- 318.14594 178.5
[M+CH3COO]- 332.16159 172.2
[M+Na-2H]- 294.12241 166.0
[M]+ 273.14719 159.4
[M]- 273.14829 159.4
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

patents stripe