CID 17750222

910462-31-6

Structural Information

Molecular Formula
C16H25BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-9-8-11(10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)
InChIKey
USZVCDRKIVKICD-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

320.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19801 171.5
[M+Na]+ 343.17995 181.0
[M+NH4]+ 338.22455 179.7
[M+K]+ 359.15389 176.4
[M-H]- 319.18345 175.2
[M+Na-2H]- 341.16540 177.8
[M]+ 320.19018 174.1
[M]- 320.19128 174.1
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