CID 16074512

2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-(3-methyl-2-butenyl)-6-(1-naphthalenylcarbonyl)-

Structural Information

Molecular Formula
C22H22N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC=C(C)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H22N2O3/c1-4-16-19(24(13-12-14(2)3)22(27)23-21(16)26)20(25)18-11-7-9-15-8-5-6-10-17(15)18/h5-12H,4,13H2,1-3H3,(H,23,26,27)
InChIKey
QFWKLPNBBVJMGS-UHFFFAOYSA-N
Compound name
5-ethyl-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

362.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17034 187.2
[M+Na]+ 385.15228 196.0
[M-H]- 361.15578 191.1
[M+NH4]+ 380.19688 197.5
[M+K]+ 401.12622 188.9
[M+H-H2O]+ 345.16032 177.5
[M+HCOO]- 407.16126 203.5
[M+CH3COO]- 421.17691 216.9
[M+Na-2H]- 383.13773 187.9
[M]+ 362.16251 189.0
[M]- 362.16361 189.0
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.