CID 2825150

Schembl2182422

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CC(C(=O)C(=CC2=CC=CC=C2)C1)CN3CCOCC3
InChI
InChI=1S/C18H23NO2/c20-18-16(13-15-5-2-1-3-6-15)7-4-8-17(18)14-19-9-11-21-12-10-19/h1-3,5-6,13,17H,4,7-12,14H2
InChIKey
XLHVHZOUMWHBQL-UHFFFAOYSA-N
Compound name
2-benzylidene-6-(morpholin-4-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

285.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 169.7
[M+Na]+ 308.162098 172.1
[M-H]- 284.165604 176.5
[M+NH4]+ 303.206703 181.6
[M+K]+ 324.136038 168.6
[M+H-H2O]+ 268.170140 159.7
[M+HCOO]- 330.171081 183.9
[M+CH3COO]- 344.186731 178.6
[M+Na-2H]- 306.147546 171.1
[M]+ 285.17233142 162.0
[M]- 285.17342858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe