CID 46739748

1,3-dimethyl-5-[4-(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=C(C=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)13-9-7-12(8-10-13)11-14-15(23)21(5)17(25)22(6)16(14)24/h7-11H,1-6H3
InChIKey
AWWSBYIWDATYAG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-[[4-(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]+ 371.17728 179.7
[M+Na]+ 393.15922 190.3
[M-H]- 369.16272 189.2
[M+NH4]+ 388.20382 193.3
[M+K]+ 409.13316 188.7
[M+H-H2O]+ 353.16726 173.0
[M+HCOO]- 415.16820 194.4
[M+CH3COO]- 429.18385 218.9
[M+Na-2H]- 391.14467 179.1
[M]+ 370.16945 182.8
[M]- 370.17055 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.