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]+ 300.170676 172.4
[M+Na]+ 322.152618 178.7
[M-H]- 298.156124 178.4
[M+NH4]+ 317.197223 183.5
[M+K]+ 338.126558 175.6
[M+H-H2O]+ 282.160660 162.0
[M+HCOO]- 344.161601 188.2
[M+CH3COO]- 358.177251 182.4
[M+Na-2H]- 320.138066 172.5
[M]+ 299.16285142 171.1
[M]- 299.16394858 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.