CID 15957706

Chembl560576

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3CCCCC3)C(C)C)C
InChI
InChI=1S/C23H30N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h10-12,14,17H,5-9,13H2,1-4H3,(H,24,27,28)
InChIKey
MCNQPZJFPCWMBX-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

382.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 193.6
[M+Na]+ 405.21487 199.4
[M-H]- 381.21837 199.0
[M+NH4]+ 400.25947 201.8
[M+K]+ 421.18881 193.5
[M+H-H2O]+ 365.22291 183.3
[M+HCOO]- 427.22385 206.7
[M+CH3COO]- 441.23950 222.0
[M+Na-2H]- 403.20032 189.5
[M]+ 382.22510 191.4
[M]- 382.22620 191.4
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