CID 5274604

Akos015962787

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=C(C=C2)O)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H26N2O4/c1-4-20-21(12-18-10-15(2)9-16(3)11-18)25(23(28)24-22(20)27)14-29-13-17-5-7-19(26)8-6-17/h5-11,26H,4,12-14H2,1-3H3,(H,24,27,28)
InChIKey
FIWKNMLBOWXIDM-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[(4-hydroxyphenyl)methoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 197.2
[M+Na]+ 417.17849 206.5
[M-H]- 393.18199 202.5
[M+NH4]+ 412.22309 204.8
[M+K]+ 433.15243 199.4
[M+H-H2O]+ 377.18653 186.3
[M+HCOO]- 439.18747 214.8
[M+CH3COO]- 453.20312 221.0
[M+Na-2H]- 415.16394 196.8
[M]+ 394.18872 200.9
[M]- 394.18982 200.9
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

No patent data available for this compound.