CID 15957826

Schembl6087134

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC(=O)C)C(C)C)C
InChI
InChI=1S/C18H22N2O4/c1-10(2)15-16(22)19-18(23)20(9-13(5)21)17(15)24-14-7-11(3)6-12(4)8-14/h6-8,10H,9H2,1-5H3,(H,19,22,23)
InChIKey
KUZODZCZJQBEOQ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-(2-oxopropyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 175.2
[M+Na]+ 353.14718 185.0
[M-H]- 329.15068 179.1
[M+NH4]+ 348.19178 186.4
[M+K]+ 369.12112 180.8
[M+H-H2O]+ 313.15522 166.6
[M+HCOO]- 375.15616 193.3
[M+CH3COO]- 389.17181 212.1
[M+Na-2H]- 351.13263 174.3
[M]+ 330.15741 179.7
[M]- 330.15851 179.7
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