CID 68787500

1236354-95-2

Structural Information

Molecular Formula
C17H26BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C3=NC=C(C=N3)CC
InChI
InChI=1S/C17H26BN3O2/c1-6-13-11-19-15(20-12-13)21-9-7-14(8-10-21)18-22-16(2,3)17(4,5)23-18/h7,11-12H,6,8-10H2,1-5H3
InChIKey
LQYIGGWYJOFRSY-UHFFFAOYSA-N
Compound name
5-ethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.2118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.21908 173.4
[M+Na]+ 338.20102 181.5
[M-H]- 314.20452 180.5
[M+NH4]+ 333.24562 187.2
[M+K]+ 354.17496 180.3
[M+H-H2O]+ 298.20906 164.1
[M+HCOO]- 360.21000 187.6
[M+CH3COO]- 374.22565 184.2
[M+Na-2H]- 336.18647 175.6
[M]+ 315.21125 174.2
[M]- 315.21235 174.2
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