CID 15957740

Schembl6086765

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=CC(=C2)OC)OC)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C24H26N2O5/c1-6-20-21(22(27)17-8-14(2)7-15(3)9-17)26(24(29)25-23(20)28)13-16-10-18(30-4)12-19(11-16)31-5/h7-12H,6,13H2,1-5H3,(H,25,28,29)
InChIKey
NGFWUEVFQYEMGR-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

422.18417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 201.8
[M+Na]+ 445.17339 211.6
[M-H]- 421.17689 208.8
[M+NH4]+ 440.21799 208.9
[M+K]+ 461.14733 206.1
[M+H-H2O]+ 405.18143 190.7
[M+HCOO]- 467.18237 219.9
[M+CH3COO]- 481.19802 229.9
[M+Na-2H]- 443.15884 199.8
[M]+ 422.18362 208.2
[M]- 422.18472 208.2
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