CID 21149970

2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dicyclohexyl-5-((4-(dimethylamino)phenyl)methyl)-

Structural Information

Molecular Formula
C25H35N3O3
SMILES
CN(C)C1=CC=C(C=C1)CC2C(=O)N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C25H35N3O3/c1-26(2)19-15-13-18(14-16-19)17-22-23(29)27(20-9-5-3-6-10-20)25(31)28(24(22)30)21-11-7-4-8-12-21/h13-16,20-22H,3-12,17H2,1-2H3
InChIKey
YZJGYZJSYDEHTP-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.26785 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.27513 207.6
[M+Na]+ 448.25707 207.8
[M-H]- 424.26057 216.0
[M+NH4]+ 443.30167 213.6
[M+K]+ 464.23101 203.1
[M+H-H2O]+ 408.26511 194.6
[M+HCOO]- 470.26605 217.4
[M+CH3COO]- 484.28170 235.1
[M+Na-2H]- 446.24252 201.2
[M]+ 425.26730 198.1
[M]- 425.26840 198.1
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.