CID 483499

Iqp-0528

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3CC3)C(C)C)C
InChI
InChI=1S/C20H24N2O3/c1-11(2)16-17(18(23)15-8-12(3)7-13(4)9-15)22(10-14-5-6-14)20(25)21-19(16)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,21,24,25)
InChIKey
UCOAKFIVSAVHLC-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

115
Patents

340.17868 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.1
[M+Na]+ 363.16790 192.8
[M-H]- 339.17140 189.2
[M+NH4]+ 358.21250 188.4
[M+K]+ 379.14184 185.8
[M+H-H2O]+ 323.17594 173.3
[M+HCOO]- 385.17688 200.1
[M+CH3COO]- 399.19253 216.2
[M+Na-2H]- 361.15335 180.3
[M]+ 340.17813 186.8
[M]- 340.17923 186.8
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