CID 15957739

Schembl6088314

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC(=CC(=C3)OC)OC)C(C)C)C
InChI
InChI=1S/C24H28N2O5/c1-14(2)21-22(27)25-24(28)26(13-17-10-18(29-5)12-19(11-17)30-6)23(21)31-20-8-15(3)7-16(4)9-20/h7-12,14H,13H2,1-6H3,(H,25,27,28)
InChIKey
LNTOZOISEUQJJB-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

424.19983 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.207106 203.2
[M+Na]+ 447.189048 212.6
[M-H]- 423.192554 210.1
[M+NH4]+ 442.233653 210.2
[M+K]+ 463.162988 207.8
[M+H-H2O]+ 407.197090 191.9
[M+HCOO]- 469.198031 221.1
[M+CH3COO]- 483.213681 230.6
[M+Na-2H]- 445.174496 201.1
[M]+ 424.19928142 210.2
[M]- 424.20037858 210.2
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