CID 359830

Nsc621397

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC1CCCC(C1=O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO4/c1-13-6-5-9-16(20(13)25)17(22)10-14-11-18(23)21(19(24)12-14)15-7-3-2-4-8-15/h2-4,7-8,13-14,16-17,22H,5-6,9-12H2,1H3
InChIKey
RCZRBUNYNIOSQE-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.2
[M+Na]+ 366.16756 185.6
[M-H]- 342.17106 187.9
[M+NH4]+ 361.21216 192.8
[M+K]+ 382.14150 181.3
[M+H-H2O]+ 326.17560 172.9
[M+HCOO]- 388.17654 194.6
[M+CH3COO]- 402.19219 211.4
[M+Na-2H]- 364.15301 178.6
[M]+ 343.17779 175.8
[M]- 343.17889 175.8
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.