CID 16077325

[3-methyl-4-[5-methyl-6-(naphthalene-1-carbonyl)-2,4-dioxo-pyrimidin-1-yl]but-2-enyl] acetate

Structural Information

Molecular Formula
C23H22N2O5
SMILES
CC1=C(N(C(=O)NC1=O)CC(=CCOC(=O)C)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H22N2O5/c1-14(11-12-30-16(3)26)13-25-20(15(2)22(28)24-23(25)29)21(27)19-10-6-8-17-7-4-5-9-18(17)19/h4-11H,12-13H2,1-3H3,(H,24,28,29)
InChIKey
ZULOAYGVMKATJV-UHFFFAOYSA-N
Compound name
[3-methyl-4-[5-methyl-6-(naphthalene-1-carbonyl)-2,4-dioxopyrimidin-1-yl]but-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.15286 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16014 195.4
[M+Na]+ 429.14208 203.2
[M-H]- 405.14558 199.2
[M+NH4]+ 424.18668 203.4
[M+K]+ 445.11602 197.6
[M+H-H2O]+ 389.15012 185.4
[M+HCOO]- 451.15106 210.9
[M+CH3COO]- 465.16671 223.9
[M+Na-2H]- 427.12753 194.8
[M]+ 406.15231 198.9
[M]- 406.15341 198.9
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.