CID 16077337

Chembl228298

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC=C(C)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H24N2O4/c1-4-17-20(21(26)19-11-7-9-16-8-5-6-10-18(16)19)25(23(28)24-22(17)27)14-29-13-12-15(2)3/h5-12H,4,13-14H2,1-3H3,(H,24,27,28)
InChIKey
QYCXXMKSUPFQNQ-UHFFFAOYSA-N
Compound name
5-ethyl-1-(3-methylbut-2-enoxymethyl)-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 194.7
[M+Na]+ 415.16282 202.7
[M-H]- 391.16632 198.4
[M+NH4]+ 410.20742 203.6
[M+K]+ 431.13676 196.3
[M+H-H2O]+ 375.17086 184.5
[M+HCOO]- 437.17180 210.8
[M+CH3COO]- 451.18745 222.1
[M+Na-2H]- 413.14827 194.9
[M]+ 392.17305 198.1
[M]- 392.17415 198.1
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.