CID 15957769

Schembl6087014

Structural Information

Molecular Formula
C25H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC3=CC=CC=C3C=C2)OC4=CC(=CC(=C4)C)C
InChI
InChI=1S/C25H24N2O3/c1-4-22-23(28)26-25(29)27(24(22)30-21-12-16(2)11-17(3)13-21)15-18-9-10-19-7-5-6-8-20(19)14-18/h5-14H,4,15H2,1-3H3,(H,26,28,29)
InChIKey
QQLQFUNBNJESOL-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.17868 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 200.8
[M+Na]+ 423.16790 210.9
[M-H]- 399.17140 208.1
[M+NH4]+ 418.21250 209.4
[M+K]+ 439.14184 203.1
[M+H-H2O]+ 383.17594 188.9
[M+HCOO]- 445.17688 218.5
[M+CH3COO]- 459.19253 210.1
[M+Na-2H]- 421.15335 202.6
[M]+ 400.17813 203.9
[M]- 400.17923 203.9
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