CID 6480197

Schembl7255873

Structural Information

Molecular Formula
C25H28N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COC/C=C/C2=CC=CC=C2)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C25H28N2O3/c1-4-22-23(16-21-14-18(2)13-19(3)15-21)27(25(29)26-24(22)28)17-30-12-8-11-20-9-6-5-7-10-20/h5-11,13-15H,4,12,16-17H2,1-3H3,(H,26,28,29)/b11-8+
InChIKey
MWKVXKKXNPMFNN-DHZHZOJOSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

404.21 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21728 201.7
[M+Na]+ 427.19922 210.2
[M-H]- 403.20272 207.6
[M+NH4]+ 422.24382 209.3
[M+K]+ 443.17316 202.1
[M+H-H2O]+ 387.20726 190.2
[M+HCOO]- 449.20820 220.2
[M+CH3COO]- 463.22385 224.2
[M+Na-2H]- 425.18467 201.3
[M]+ 404.20945 205.2
[M]- 404.21055 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe