CID 55387

Ethanone, 1-(4-cyclopentylphenyl)-2-(4-morpholinyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C17H23NO2/c19-17(13-18-9-11-20-12-10-18)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKey
NCYLSJYPVYRPLK-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.9
[M+Na]+ 296.162098 168.2
[M-H]- 272.165604 173.1
[M+NH4]+ 291.206703 180.0
[M+K]+ 312.136038 165.9
[M+H-H2O]+ 256.170140 157.0
[M+HCOO]- 318.171081 181.6
[M+CH3COO]- 332.186731 175.6
[M+Na-2H]- 294.147546 165.7
[M]+ 273.17233142 159.9
[M]- 273.17342858 159.9
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