CID 15957811

Schembl6087585

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3CO3)C(C)C)C
InChI
InChI=1S/C19H22N2O4/c1-10(2)15-16(17(22)13-6-11(3)5-12(4)7-13)21(8-14-9-25-14)19(24)20-18(15)23/h5-7,10,14H,8-9H2,1-4H3,(H,20,23,24)
InChIKey
PSIKNICAJLPARI-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-(oxiran-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.15796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 183.0
[M+Na]+ 365.14718 194.2
[M-H]- 341.15068 191.0
[M+NH4]+ 360.19178 187.8
[M+K]+ 381.12112 188.9
[M+H-H2O]+ 325.15522 173.9
[M+HCOO]- 387.15616 200.3
[M+CH3COO]- 401.17181 215.8
[M+Na-2H]- 363.13263 182.2
[M]+ 342.15741 189.4
[M]- 342.15851 189.4
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