CID 16077329

Chembl229045

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCC=C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H18N2O4/c1-3-11-26-12-22-17(13(2)19(24)21-20(22)25)18(23)16-10-6-8-14-7-4-5-9-15(14)16/h3-10H,1,11-12H2,2H3,(H,21,24,25)
InChIKey
YZWKQWKZLBWISE-UHFFFAOYSA-N
Compound name
5-methyl-6-(naphthalene-1-carbonyl)-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 181.6
[M+Na]+ 373.11587 191.2
[M-H]- 349.11937 185.6
[M+NH4]+ 368.16047 192.2
[M+K]+ 389.08981 184.7
[M+H-H2O]+ 333.12391 171.7
[M+HCOO]- 395.12485 199.6
[M+CH3COO]- 409.14050 213.0
[M+Na-2H]- 371.10132 184.4
[M]+ 350.12610 184.6
[M]- 350.12720 184.6
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.