CID 15957738

Schembl6085479

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=CC(=C2)OC)OC)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H26N2O5/c1-6-20-21(26)24-23(27)25(13-16-10-17(28-4)12-18(11-16)29-5)22(20)30-19-8-14(2)7-15(3)9-19/h7-12H,6,13H2,1-5H3,(H,24,26,27)
InChIKey
RPQDKHKKWTXTQF-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

410.18417 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 199.7
[M+Na]+ 433.17339 209.9
[M-H]- 409.17689 206.7
[M+NH4]+ 428.21799 207.4
[M+K]+ 449.14733 204.6
[M+H-H2O]+ 393.18143 188.4
[M+HCOO]- 455.18237 218.9
[M+CH3COO]- 469.19802 226.7
[M+Na-2H]- 431.15884 199.1
[M]+ 410.18362 206.9
[M]- 410.18472 206.9
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