CID 3006754

Ethyl 4-(naphthalen-2-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C16H14O4
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H14O4/c1-2-20-16(19)15(18)10-14(17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
InChIKey
PCCOLZYMAYSQQQ-UHFFFAOYSA-N
Compound name
ethyl 4-naphthalen-2-yl-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.5
[M+Na]+ 293.07842 166.0
[M-H]- 269.08192 163.7
[M+NH4]+ 288.12302 176.4
[M+K]+ 309.05236 163.7
[M+H-H2O]+ 253.08646 152.6
[M+HCOO]- 315.08740 180.0
[M+CH3COO]- 329.10305 198.6
[M+Na-2H]- 291.06387 163.1
[M]+ 270.08865 162.8
[M]- 270.08975 162.8
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

No patent data available for this compound.