CID 9883904

Chembl564867

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3CC3)C(C)C)C
InChI
InChI=1S/C19H24N2O3/c1-11(2)16-17(22)20-19(23)21(10-14-5-6-14)18(16)24-15-8-12(3)7-13(4)9-15/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,22,23)
InChIKey
BWLYGOVEEHWYDU-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

328.17868 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 180.6
[M+Na]+ 351.16790 191.7
[M-H]- 327.17140 187.7
[M+NH4]+ 346.21250 187.4
[M+K]+ 367.14184 184.9
[M+H-H2O]+ 311.17594 171.6
[M+HCOO]- 373.17688 199.5
[M+CH3COO]- 387.19253 213.2
[M+Na-2H]- 349.15335 180.2
[M]+ 328.17813 186.1
[M]- 328.17923 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe