CID 9864571

Schembl6087044

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H26N2O3/c1-6-20-21(26)24-23(27)25(13-18-9-14(2)7-15(3)10-18)22(20)28-19-11-16(4)8-17(5)12-19/h7-12H,6,13H2,1-5H3,(H,24,26,27)
InChIKey
LNCQGGFVUUSFFZ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-[(3,5-dimethylphenyl)methyl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

378.19434 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.7
[M+Na]+ 401.18356 204.6
[M-H]- 377.18706 200.8
[M+NH4]+ 396.22816 203.0
[M+K]+ 417.15750 197.7
[M+H-H2O]+ 361.19160 183.0
[M+HCOO]- 423.19254 212.6
[M+CH3COO]- 437.20819 222.3
[M+Na-2H]- 399.16901 192.9
[M]+ 378.19379 198.2
[M]- 378.19489 198.2
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