CID 68266589

1400668-06-5

Structural Information

Molecular Formula
C20H32BN3O6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC(=N2)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)14-12-22-11-13(23-14)21-29-19(7,8)20(9,10)30-21/h11-12H,1-10H3
InChIKey
MPDGREDXDDKJJG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

421.2384 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24568 191.6
[M+Na]+ 444.22762 198.5
[M+NH4]+ 439.27222 196.7
[M+K]+ 460.20156 197.3
[M-H]- 420.23112 192.5
[M+Na-2H]- 442.21307 196.0
[M]+ 421.23785 192.9
[M]- 421.23895 192.9
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