CID 17750222

Tert-butyl n-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

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

244
Patents

320.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19801 171.4
[M+Na]+ 343.17995 179.0
[M-H]- 319.18345 178.6
[M+NH4]+ 338.22455 187.9
[M+K]+ 359.15389 180.3
[M+H-H2O]+ 303.18799 166.3
[M+HCOO]- 365.18893 189.2
[M+CH3COO]- 379.20458 208.4
[M+Na-2H]- 341.16540 176.9
[M]+ 320.19018 176.3
[M]- 320.19128 176.3
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