CID 6480200

Schembl7255109

Structural Information

Molecular Formula
C26H30N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COC/C(=C/C2=CC=CC=C2)/C)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C26H30N2O3/c1-5-23-24(15-22-12-18(2)11-19(3)13-22)28(26(30)27-25(23)29)17-31-16-20(4)14-21-9-7-6-8-10-21/h6-14H,5,15-17H2,1-4H3,(H,27,29,30)/b20-14+
InChIKey
BFYJNMRZCJTXNL-XSFVSMFZSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

418.22565 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 205.4
[M+Na]+ 441.21487 213.2
[M-H]- 417.21837 211.3
[M+NH4]+ 436.25947 212.4
[M+K]+ 457.18881 205.4
[M+H-H2O]+ 401.22291 194.0
[M+HCOO]- 463.22385 222.6
[M+CH3COO]- 477.23950 228.0
[M+Na-2H]- 439.20032 203.5
[M]+ 418.22510 208.7
[M]- 418.22620 208.7
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

No patent data available for this compound.