CID 16077328

Chembl229044

Structural Information

Molecular Formula
C24H20N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H20N2O4/c1-16-21(22(27)20-13-7-11-18-10-5-6-12-19(18)20)26(24(29)25-23(16)28)15-30-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,25,28,29)
InChIKey
NXPQMRDIYKSXAX-UHFFFAOYSA-N
Compound name
5-methyl-6-(naphthalene-1-carbonyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.1423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 196.6
[M+Na]+ 423.13152 205.0
[M-H]- 399.13502 203.4
[M+NH4]+ 418.17612 204.3
[M+K]+ 439.10546 198.0
[M+H-H2O]+ 383.13956 184.6
[M+HCOO]- 445.14050 214.0
[M+CH3COO]- 459.15615 205.4
[M+Na-2H]- 421.11697 199.5
[M]+ 400.14175 198.6
[M]- 400.14285 198.6
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.