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

5
Patents

273.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 162.7
[M+Na]+ 296.136958 167.4
[M-H]- 272.140464 166.6
[M+NH4]+ 291.181563 173.6
[M+K]+ 312.110898 164.0
[M+H-H2O]+ 256.145000 152.1
[M+HCOO]- 318.145941 178.5
[M+CH3COO]- 332.161591 172.2
[M+Na-2H]- 294.122406 166.0
[M]+ 273.14719142 159.4
[M]- 273.14828858 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