CID 15957771

Schembl6087879

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC(=CC(=C4)C)C
InChI
InChI=1S/C26H24N2O3/c1-4-22-23(24(29)21-12-16(2)11-17(3)13-21)28(26(31)27-25(22)30)15-18-9-10-19-7-5-6-8-20(19)14-18/h5-14H,4,15H2,1-3H3,(H,27,30,31)
InChIKey
UZJWHMXMBHLVBN-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-5-ethyl-1-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

412.17868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 203.2
[M+Na]+ 435.16790 212.8
[M-H]- 411.17140 210.5
[M+NH4]+ 430.21250 211.2
[M+K]+ 451.14184 204.8
[M+H-H2O]+ 395.17594 191.5
[M+HCOO]- 457.17688 219.7
[M+CH3COO]- 471.19253 212.0
[M+Na-2H]- 433.15335 203.5
[M]+ 412.17813 205.5
[M]- 412.17923 205.5
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

patents stripe