CID 15957787

Schembl6088051

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=CC=N2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H21N3O3/c1-4-17-18(24)22-20(25)23(12-15-7-5-6-8-21-15)19(17)26-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H,22,24,25)
InChIKey
BPWHLJLHVNWYTF-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 185.8
[M+Na]+ 374.147518 196.2
[M-H]- 350.151024 191.2
[M+NH4]+ 369.192123 194.3
[M+K]+ 390.121458 189.3
[M+H-H2O]+ 334.155560 174.4
[M+HCOO]- 396.156501 204.4
[M+CH3COO]- 410.172151 213.6
[M+Na-2H]- 372.132966 188.1
[M]+ 351.15775142 188.9
[M]- 351.15884858 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