CID 71306491

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

Structural Information

Molecular Formula
C19H25BN2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC3C(=O)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C19H25BN2O5/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/h7-10,14H,11H2,1-6H3
InChIKey
BNRMMTHQRMYNPW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18564 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19292 180.8
[M+Na]+ 395.17486 191.0
[M-H]- 371.17836 190.2
[M+NH4]+ 390.21946 194.3
[M+K]+ 411.14880 190.0
[M+H-H2O]+ 355.18290 174.0
[M+HCOO]- 417.18384 195.2
[M+CH3COO]- 431.19949 220.2
[M+Na-2H]- 393.16031 180.2
[M]+ 372.18509 184.6
[M]- 372.18619 184.6
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.