CID 73623

Refchem:1069826

Structural Information

Molecular Formula
C17H25NO4
SMILES
CC=CC(=CC(C)C(=O)CC(CC1CC(=O)NC(=O)C1)O)C
InChI
InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(20)10-14(19)7-13-8-16(21)18-17(22)9-13/h4-6,12-14,19H,7-10H2,1-3H3,(H,18,21,22)
InChIKey
ATUBIBZJAGAIBW-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-5,7-dimethyl-4-oxodeca-6,8-dienyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

307.17834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 174.5
[M+Na]+ 330.167558 176.9
[M-H]- 306.171064 172.4
[M+NH4]+ 325.212163 186.2
[M+K]+ 346.141498 173.1
[M+H-H2O]+ 290.175600 168.0
[M+HCOO]- 352.176541 185.6
[M+CH3COO]- 366.192191 202.9
[M+Na-2H]- 328.153006 168.8
[M]+ 307.17779142 170.3
[M]- 307.17888858 170.3
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