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

6
Patents

328.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 173.7
[M+Na]+ 351.13152 183.8
[M-H]- 327.13502 177.6
[M+NH4]+ 346.17612 184.9
[M+K]+ 367.10546 178.9
[M+H-H2O]+ 311.13956 165.1
[M+HCOO]- 373.14050 192.0
[M+CH3COO]- 387.15615 211.4
[M+Na-2H]- 349.11697 172.8
[M]+ 328.14175 177.5
[M]- 328.14285 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