CID 16077324

Chembl228885

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=C(N(C(=O)NC1=O)CC=C(C)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H20N2O3/c1-13(2)11-12-23-18(14(3)20(25)22-21(23)26)19(24)17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,12H2,1-3H3,(H,22,25,26)
InChIKey
VWENSYUDXQWVSB-UHFFFAOYSA-N
Compound name
5-methyl-1-(3-methylbut-2-enyl)-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 182.7
[M+Na]+ 371.136618 191.9
[M-H]- 347.140124 186.8
[M+NH4]+ 366.181223 193.5
[M+K]+ 387.110558 185.1
[M+H-H2O]+ 331.144660 173.2
[M+HCOO]- 393.145601 199.3
[M+CH3COO]- 407.161251 214.0
[M+Na-2H]- 369.122066 183.9
[M]+ 348.14685142 184.1
[M]- 348.14794858 184.1
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.