CID 2592797

4-cyclohexylcarbamoylmethoxybenzophenone

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO3/c23-20(22-18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)21(24)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,23)
InChIKey
OZASRIDZANFMKE-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenoxy)-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

337.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 180.5
[M+Na]+ 360.15702 181.9
[M-H]- 336.16052 188.3
[M+NH4]+ 355.20162 192.1
[M+K]+ 376.13096 178.0
[M+H-H2O]+ 320.16506 170.6
[M+HCOO]- 382.16600 199.4
[M+CH3COO]- 396.18165 211.7
[M+Na-2H]- 358.14247 181.6
[M]+ 337.16725 176.1
[M]- 337.16835 176.1
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

No patent data available for this compound.