CID 483494

Chembl560180

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CCC3CCC=C3)C(C)C)C
InChI
InChI=1S/C23H28N2O3/c1-14(2)19-20(21(26)18-12-15(3)11-16(4)13-18)25(23(28)24-22(19)27)10-9-17-7-5-6-8-17/h5,7,11-14,17H,6,8-10H2,1-4H3,(H,24,27,28)
InChIKey
OHNFSFKNDCPQPZ-UHFFFAOYSA-N
Compound name
1-(2-cyclopent-2-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

380.21 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 192.3
[M+Na]+ 403.19922 199.9
[M-H]- 379.20272 198.8
[M+NH4]+ 398.24382 202.7
[M+K]+ 419.17316 193.8
[M+H-H2O]+ 363.20726 182.9
[M+HCOO]- 425.20820 209.2
[M+CH3COO]- 439.22385 220.8
[M+Na-2H]- 401.18467 187.4
[M]+ 380.20945 193.7
[M]- 380.21055 193.7
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.