CID 15957827

Schembl6087754

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)C)C(=O)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C18H20N2O4/c1-5-14-15(16(22)13-7-10(2)6-11(3)8-13)20(9-12(4)21)18(24)19-17(14)23/h6-8H,5,9H2,1-4H3,(H,19,23,24)
InChIKey
BXBYFQHDWKSRCB-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-5-ethyl-1-(2-oxopropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

328.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.149576 173.7
[M+Na]+ 351.131518 183.8
[M-H]- 327.135024 177.6
[M+NH4]+ 346.176123 184.9
[M+K]+ 367.105458 178.9
[M+H-H2O]+ 311.139560 165.1
[M+HCOO]- 373.140501 192.0
[M+CH3COO]- 387.156151 211.4
[M+Na-2H]- 349.116966 172.8
[M]+ 328.14175142 177.5
[M]- 328.14284858 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe