CID 16077334

Chembl426358

Structural Information

Molecular Formula
C25H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H22N2O4/c1-2-19-22(23(28)21-14-8-12-18-11-6-7-13-20(18)21)27(25(30)26-24(19)29)16-31-15-17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,26,29,30)
InChIKey
VHIMFGGQAUTKKY-UHFFFAOYSA-N
Compound name
5-ethyl-6-(naphthalene-1-carbonyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.15796 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 201.0
[M+Na]+ 437.14718 209.0
[M-H]- 413.15068 207.6
[M+NH4]+ 432.19178 208.1
[M+K]+ 453.12112 201.7
[M+H-H2O]+ 397.15522 188.8
[M+HCOO]- 459.15616 218.0
[M+CH3COO]- 473.17181 209.4
[M+Na-2H]- 435.13263 203.4
[M]+ 414.15741 203.3
[M]- 414.15851 203.3
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.