CID 16414213

957198-30-0

Structural Information

Molecular Formula
C14H22BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCOCC3
InChI
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-16-12(17-10-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
InChIKey
HNVAYPJNFUXYII-UHFFFAOYSA-N
Compound name
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

291.1754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18268 165.7
[M+Na]+ 314.16462 178.2
[M+NH4]+ 309.20922 175.1
[M+K]+ 330.13856 171.9
[M-H]- 290.16812 172.7
[M+Na-2H]- 312.15007 173.0
[M]+ 291.17485 169.8
[M]- 291.17595 169.8
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

patents stripe