CID 3079323

Morpholine, 4-((3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)acetyl)-

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOCC3
InChI
InChI=1S/C17H21N3O2/c1-13-16(12-17(21)19-8-10-22-11-9-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKey
AQLNDHIFSLDIDK-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 172.4
[M+Na]+ 322.15262 178.7
[M-H]- 298.15612 178.4
[M+NH4]+ 317.19722 183.5
[M+K]+ 338.12656 175.6
[M+H-H2O]+ 282.16066 162.0
[M+HCOO]- 344.16160 188.2
[M+CH3COO]- 358.17725 182.4
[M+Na-2H]- 320.13807 172.5
[M]+ 299.16285 171.1
[M]- 299.16395 171.1
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.