CID 17750223

1032758-88-5

Structural Information

Molecular Formula
C15H24BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24BN3O4/c1-13(2,3)21-12(20)19-11-17-8-10(9-18-11)16-22-14(4,5)15(6,7)23-16/h8-9H,1-7H3,(H,17,18,19,20)
InChIKey
XICHESWFGOSKMN-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

321.18597 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19325 171.1
[M+Na]+ 344.17519 180.6
[M+NH4]+ 339.21979 178.6
[M+K]+ 360.14913 176.5
[M-H]- 320.17869 174.0
[M+Na-2H]- 342.16064 177.1
[M]+ 321.18542 173.5
[M]- 321.18652 173.5
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