CID 71306510

1,3-dimethyl-5-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzylidene]-pyrimidine-2,4,6-trione

Structural Information

Molecular Formula
C19H23BN2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C19H23BN2O5/c1-18(2)19(3,4)27-20(26-18)13-9-7-8-12(10-13)11-14-15(23)21(5)17(25)22(6)16(14)24/h7-11H,1-6H3
InChIKey
VRODNKHKVOXUAU-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.17 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.177276 179.7
[M+Na]+ 393.159218 190.3
[M-H]- 369.162724 189.2
[M+NH4]+ 388.203823 193.3
[M+K]+ 409.133158 188.7
[M+H-H2O]+ 353.167260 173.0
[M+HCOO]- 415.168201 194.4
[M+CH3COO]- 429.183851 218.9
[M+Na-2H]- 391.144666 179.1
[M]+ 370.16945142 182.8
[M]- 370.17054858 182.8
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.