CID 75450948

3-[1-(2-fluorophenyl)-3,5-dimethyl-1h-pyrazol-4-yl]morpholine

Structural Information

Molecular Formula
C15H18FN3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2F)C)C3COCCN3
InChI
InChI=1S/C15H18FN3O/c1-10-15(13-9-20-8-7-17-13)11(2)19(18-10)14-6-4-3-5-12(14)16/h3-6,13,17H,7-9H2,1-2H3
InChIKey
JGBIDYJPADLQEX-UHFFFAOYSA-N
Compound name
3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15068 165.1
[M+Na]+ 298.13262 172.9
[M-H]- 274.13612 168.8
[M+NH4]+ 293.17722 176.9
[M+K]+ 314.10656 168.3
[M+H-H2O]+ 258.14066 154.5
[M+HCOO]- 320.14160 179.6
[M+CH3COO]- 334.15725 175.2
[M+Na-2H]- 296.11807 165.4
[M]+ 275.14285 160.6
[M]- 275.14395 160.6
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.