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]+ 363.170336 187.2
[M+Na]+ 385.152278 196.0
[M-H]- 361.155784 191.1
[M+NH4]+ 380.196883 197.5
[M+K]+ 401.126218 188.9
[M+H-H2O]+ 345.160320 177.5
[M+HCOO]- 407.161261 203.5
[M+CH3COO]- 421.176911 216.9
[M+Na-2H]- 383.137726 187.9
[M]+ 362.16251142 189.0
[M]- 362.16360858 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.