CID 15957704

Chembl562879

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3CCC3)C(C)C)C
InChI
InChI=1S/C21H26N2O3/c1-12(2)17-18(19(24)16-9-13(3)8-14(4)10-16)23(11-15-6-5-7-15)21(26)22-20(17)25/h8-10,12,15H,5-7,11H2,1-4H3,(H,22,25,26)
InChIKey
ULZRRGUANDXXBI-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

354.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.3
[M+Na]+ 377.18356 193.7
[M-H]- 353.18706 192.9
[M+NH4]+ 372.22816 190.7
[M+K]+ 393.15750 191.7
[M+H-H2O]+ 337.19160 172.1
[M+HCOO]- 399.19254 202.1
[M+CH3COO]- 413.20819 219.4
[M+Na-2H]- 375.16901 183.7
[M]+ 354.19379 196.6
[M]- 354.19489 196.6
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

No patent data available for this compound.