CID 11977092

Tert-butyl n-[(tert-butoxy)carbonyl]-n-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate

Structural Information

Molecular Formula
C20H32BN3O6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H32BN3O6/c1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-22-11-13(12-23-14)21-29-19(7,8)20(9,10)30-21/h11-12H,1-10H3
InChIKey
SJJXYKAZGIJVQP-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-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

17
Patents

421.2384 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24568 192.6
[M+Na]+ 444.22762 198.8
[M-H]- 420.23112 199.8
[M+NH4]+ 439.27222 204.3
[M+K]+ 460.20156 202.9
[M+H-H2O]+ 404.23566 187.5
[M+HCOO]- 466.23660 206.5
[M+CH3COO]- 480.25225 229.3
[M+Na-2H]- 442.21307 197.1
[M]+ 421.23785 201.6
[M]- 421.23895 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe