CID 16077338

Chembl375924

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CC=C(C)C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H24N2O3/c1-14(2)12-13-25-20(19(15(3)4)22(27)24-23(25)28)21(26)18-11-7-9-16-8-5-6-10-17(16)18/h5-12,15H,13H2,1-4H3,(H,24,27,28)
InChIKey
FBCMDMJZXQHPLC-UHFFFAOYSA-N
Compound name
1-(3-methylbut-2-enyl)-6-(naphthalene-1-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 190.8
[M+Na]+ 399.16790 198.7
[M-H]- 375.17140 194.5
[M+NH4]+ 394.21250 200.3
[M+K]+ 415.14184 192.1
[M+H-H2O]+ 359.17594 181.1
[M+HCOO]- 421.17688 205.7
[M+CH3COO]- 435.19253 220.8
[M+Na-2H]- 397.15335 189.9
[M]+ 376.17813 192.3
[M]- 376.17923 192.3
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.