CID 15957791

Schembl6085671

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CN=CC=C2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H21N3O3/c1-4-17-18(24)22-20(25)23(12-15-6-5-7-21-11-15)19(17)26-16-9-13(2)8-14(3)10-16/h5-11H,4,12H2,1-3H3,(H,22,24,25)
InChIKey
NLFPCZORZHRARS-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(pyridin-3-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

351.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 185.8
[M+Na]+ 374.14752 196.2
[M-H]- 350.15102 191.2
[M+NH4]+ 369.19212 194.3
[M+K]+ 390.12146 189.3
[M+H-H2O]+ 334.15556 174.4
[M+HCOO]- 396.15650 204.4
[M+CH3COO]- 410.17215 213.6
[M+Na-2H]- 372.13297 188.1
[M]+ 351.15775 188.9
[M]- 351.15885 188.9
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