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]+ 349.15468 182.7
[M+Na]+ 371.13662 191.9
[M-H]- 347.14012 186.8
[M+NH4]+ 366.18122 193.5
[M+K]+ 387.11056 185.1
[M+H-H2O]+ 331.14466 173.2
[M+HCOO]- 393.14560 199.3
[M+CH3COO]- 407.16125 214.0
[M+Na-2H]- 369.12207 183.9
[M]+ 348.14685 184.1
[M]- 348.14795 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.