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]+ 276.150676 165.1
[M+Na]+ 298.132618 172.9
[M-H]- 274.136124 168.8
[M+NH4]+ 293.177223 176.9
[M+K]+ 314.106558 168.3
[M+H-H2O]+ 258.140660 154.5
[M+HCOO]- 320.141601 179.6
[M+CH3COO]- 334.157251 175.2
[M+Na-2H]- 296.118066 165.4
[M]+ 275.14285142 160.6
[M]- 275.14394858 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.