CID 67249052

1312479-75-6

Structural Information

Molecular Formula
C15H22BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C15H22BN3O2/c1-14(2)15(3,4)21-16(20-14)12-6-10-19(11-7-12)13-17-8-5-9-18-13/h5-6,8-9H,7,10-11H2,1-4H3
InChIKey
GQGCRMSNGVANQA-UHFFFAOYSA-N
Compound name
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

16
Patents

287.1805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18778 164.9
[M+Na]+ 310.16972 173.0
[M-H]- 286.17322 171.9
[M+NH4]+ 305.21432 179.5
[M+K]+ 326.14366 172.2
[M+H-H2O]+ 270.17776 155.6
[M+HCOO]- 332.17870 179.8
[M+CH3COO]- 346.19435 176.2
[M+Na-2H]- 308.15517 168.7
[M]+ 287.17995 164.7
[M]- 287.18105 164.7
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