CID 16074517

Methyl 2-[5-ethyl-6-(naphthalene-1-carbonyl)-2,4-dioxo-pyrimidin-1-yl]acetate

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)OC)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H18N2O5/c1-3-13-17(22(11-16(23)27-2)20(26)21-19(13)25)18(24)15-10-6-8-12-7-4-5-9-14(12)15/h4-10H,3,11H2,1-2H3,(H,21,25,26)
InChIKey
WIVGNESHRBXLRR-UHFFFAOYSA-N
Compound name
methyl 2-[5-ethyl-6-(naphthalene-1-carbonyl)-2,4-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 183.8
[M+Na]+ 389.11080 192.9
[M-H]- 365.11430 188.1
[M+NH4]+ 384.15540 193.7
[M+K]+ 405.08474 187.9
[M+H-H2O]+ 349.11884 174.0
[M+HCOO]- 411.11978 201.1
[M+CH3COO]- 425.13543 215.5
[M+Na-2H]- 387.09625 185.8
[M]+ 366.12103 187.7
[M]- 366.12213 187.7
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.