CID 49758720

1319255-85-0

Structural Information

Molecular Formula
C16H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)13-10-18-14(19-11-13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
QJCUCOACPIRJPV-UHFFFAOYSA-N
Compound name
2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

282.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16124 162.0
[M+Na]+ 305.14318 171.8
[M-H]- 281.14668 171.2
[M+NH4]+ 300.18778 178.4
[M+K]+ 321.11712 170.6
[M+H-H2O]+ 265.15122 153.6
[M+HCOO]- 327.15216 180.9
[M+CH3COO]- 341.16781 174.8
[M+Na-2H]- 303.12863 167.6
[M]+ 282.15341 164.5
[M]- 282.15451 164.5
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

patents stripe