CID 3043603

Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester

Structural Information

Molecular Formula
C24H25NO5
SMILES
CCC1(C(=O)C(=CNC1=O)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC
InChI
InChI=1S/C24H25NO5/c1-3-23(4-2)20(26)17(15-25-21(23)27)16-30-22(28)24(29,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,29H,3-4,16H2,1-2H3,(H,25,27)
InChIKey
VYKKPROBBXZXJP-UHFFFAOYSA-N
Compound name
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18056 198.7
[M+Na]+ 430.16250 203.3
[M-H]- 406.16600 203.8
[M+NH4]+ 425.20710 207.7
[M+K]+ 446.13644 198.4
[M+H-H2O]+ 390.17054 189.3
[M+HCOO]- 452.17148 212.6
[M+CH3COO]- 466.18713 218.3
[M+Na-2H]- 428.14795 200.4
[M]+ 407.17273 197.9
[M]- 407.17383 197.9
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.