CID 496064

Nsc677753

Structural Information

Molecular Formula
C19H25NO4
SMILES
C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C19H25NO4/c21-16-9-5-4-8-15(16)17(22)10-13-11-18(23)20(19(24)12-13)14-6-2-1-3-7-14/h1-3,6-7,13,15-17,21-22H,4-5,8-12H2
InChIKey
MMFRIPIYQJMEFA-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(2-hydroxycyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 179.6
[M+Na]+ 354.16756 181.8
[M-H]- 330.17106 183.6
[M+NH4]+ 349.21216 189.7
[M+K]+ 370.14150 177.3
[M+H-H2O]+ 314.17560 170.4
[M+HCOO]- 376.17654 190.6
[M+CH3COO]- 390.19219 205.6
[M+Na-2H]- 352.15301 176.7
[M]+ 331.17779 171.3
[M]- 331.17889 171.3
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.