CID 21149972

2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methylene]-

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C25H33N3O3/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/h13-17,20-21H,3-12H2,1-2H3
InChIKey
MQGRWAQBRFMHAI-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 206.8
[M+Na]+ 446.24142 207.4
[M-H]- 422.24492 215.3
[M+NH4]+ 441.28602 212.9
[M+K]+ 462.21536 202.2
[M+H-H2O]+ 406.24946 193.9
[M+HCOO]- 468.25040 216.8
[M+CH3COO]- 482.26605 233.8
[M+Na-2H]- 444.22687 200.5
[M]+ 423.25165 196.6
[M]- 423.25275 196.6
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.