CID 15957829

Yqtstxdaszfbru-uhfffaoysa-n

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)CC)OC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C18H22N2O4/c1-5-13(21)10-20-17(15(6-2)16(22)19-18(20)23)24-14-8-11(3)7-12(4)9-14/h7-9H,5-6,10H2,1-4H3,(H,19,22,23)
InChIKey
YQTSTXDASZFBRU-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(2-oxobutyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.15796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 176.1
[M+Na]+ 353.14718 186.2
[M-H]- 329.15068 179.9
[M+NH4]+ 348.19178 187.4
[M+K]+ 369.12112 181.4
[M+H-H2O]+ 313.15522 167.2
[M+HCOO]- 375.15616 195.2
[M+CH3COO]- 389.17181 211.2
[M+Na-2H]- 351.13263 176.3
[M]+ 330.15741 181.2
[M]- 330.15851 181.2
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