CID 15957711

Schembl6086483

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=CC=C2)OC)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C22H24N2O4/c1-5-19-20(25)23-22(26)24(13-16-7-6-8-17(12-16)27-4)21(19)28-18-10-14(2)9-15(3)11-18/h6-12H,5,13H2,1-4H3,(H,23,25,26)
InChIKey
MJDKUVOULVCCQR-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

380.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.4
[M+Na]+ 403.16282 202.5
[M-H]- 379.16632 199.2
[M+NH4]+ 398.20742 201.2
[M+K]+ 419.13676 196.5
[M+H-H2O]+ 363.17086 181.4
[M+HCOO]- 425.17180 211.9
[M+CH3COO]- 439.18745 220.3
[M+Na-2H]- 401.14827 193.0
[M]+ 380.17305 197.5
[M]- 380.17415 197.5
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