CID 16077331

Chembl229048

Structural Information

Molecular Formula
C23H22N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2CC=CC2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H22N2O3/c1-2-17-20(21(26)19-13-7-11-16-10-5-6-12-18(16)19)25(23(28)24-22(17)27)14-15-8-3-4-9-15/h3-7,10-13,15H,2,8-9,14H2,1H3,(H,24,27,28)
InChIKey
CBARMKGMQRLYDO-UHFFFAOYSA-N
Compound name
1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.16306 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 190.3
[M+Na]+ 397.15228 198.5
[M-H]- 373.15578 197.4
[M+NH4]+ 392.19688 201.4
[M+K]+ 413.12622 191.2
[M+H-H2O]+ 357.16032 180.2
[M+HCOO]- 419.16126 207.7
[M+CH3COO]- 433.17691 199.8
[M+Na-2H]- 395.13773 189.8
[M]+ 374.16251 190.5
[M]- 374.16361 190.5
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.