CID 15957741

Schembl6087598

Structural Information

Molecular Formula
C25H28N2O5
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=CC(=C3)OC)OC)C(C)C)C
InChI
InChI=1S/C25H28N2O5/c1-14(2)21-22(23(28)18-8-15(3)7-16(4)9-18)27(25(30)26-24(21)29)13-17-10-19(31-5)12-20(11-17)32-6/h7-12,14H,13H2,1-6H3,(H,26,29,30)
InChIKey
GAESIHYBPQFWCF-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.19983 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20711 205.0
[M+Na]+ 459.18905 214.0
[M-H]- 435.19255 211.9
[M+NH4]+ 454.23365 211.4
[M+K]+ 475.16299 209.0
[M+H-H2O]+ 419.19709 194.0
[M+HCOO]- 481.19803 221.8
[M+CH3COO]- 495.21368 233.8
[M+Na-2H]- 457.17450 201.5
[M]+ 436.19928 211.2
[M]- 436.20038 211.2
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