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

5
Patents

424.19983 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 203.2
[M+Na]+ 447.18905 212.6
[M-H]- 423.19255 210.1
[M+NH4]+ 442.23365 210.2
[M+K]+ 463.16299 207.8
[M+H-H2O]+ 407.19709 191.9
[M+HCOO]- 469.19803 221.1
[M+CH3COO]- 483.21368 230.6
[M+Na-2H]- 445.17450 201.1
[M]+ 424.19928 210.2
[M]- 424.20038 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