CID 15957805

Schembl6086356

Structural Information

Molecular Formula
C24H23N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3C=C2)OC4=CC(=CC(=C4)C)C
InChI
InChI=1S/C24H23N3O3/c1-4-20-22(28)26-24(29)27(23(20)30-19-12-15(2)11-16(3)13-19)14-18-10-9-17-7-5-6-8-21(17)25-18/h5-13H,4,14H2,1-3H3,(H,26,28,29)
InChIKey
ZXGOFPHNMFGZBD-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

401.17395 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 201.9
[M+Na]+ 424.16317 212.4
[M-H]- 400.16667 207.9
[M+NH4]+ 419.20777 209.0
[M+K]+ 440.13711 204.2
[M+H-H2O]+ 384.17121 189.4
[M+HCOO]- 446.17215 218.4
[M+CH3COO]- 460.18780 210.7
[M+Na-2H]- 422.14862 204.1
[M]+ 401.17340 205.1
[M]- 401.17450 205.1
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