CID 86682142

1235451-39-4

Structural Information

Molecular Formula
C16H26BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H26BN3O4/c1-14(2,3)22-13(21)20-10-12-18-8-11(9-19-12)17-23-15(4,5)16(6,7)24-17/h8-9H,10H2,1-7H3,(H,20,21)
InChIKey
KVKZDKWDTAMTQF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

335.20163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20891 175.8
[M+Na]+ 358.19085 183.3
[M-H]- 334.19435 181.6
[M+NH4]+ 353.23545 190.3
[M+K]+ 374.16479 184.5
[M+H-H2O]+ 318.19889 169.7
[M+HCOO]- 380.19983 192.3
[M+CH3COO]- 394.21548 211.2
[M+Na-2H]- 356.17630 181.1
[M]+ 335.20108 181.2
[M]- 335.20218 181.2
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