CID 6477514

Nsc679109

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC(C)(C)C1CCC(=O)/C(=C\CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)/C1
InChI
InChI=1S/C23H29NO3/c1-23(2,3)18-11-12-20(25)17(15-18)10-9-16-13-21(26)24(22(27)14-16)19-7-5-4-6-8-19/h4-8,10,16,18H,9,11-15H2,1-3H3/b17-10-
InChIKey
DMQRPBIUAZTERT-YVLHZVERSA-N
Compound name
4-[(2Z)-2-(5-tert-butyl-2-oxocyclohexylidene)ethyl]-1-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 191.0
[M+Na]+ 390.20397 194.8
[M-H]- 366.20747 197.8
[M+NH4]+ 385.24857 201.7
[M+K]+ 406.17791 189.4
[M+H-H2O]+ 350.21201 181.6
[M+HCOO]- 412.21295 203.3
[M+CH3COO]- 426.22860 217.9
[M+Na-2H]- 388.18942 188.4
[M]+ 367.21420 185.3
[M]- 367.21530 185.3
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.