CID 129946545

1420297-21-7

Structural Information

Molecular Formula
C12H18BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)N
InChI
InChI=1S/C12H18BN3O3/c1-11(2)12(3,4)19-13(18-11)7-5-8(10(15)17)9(14)16-6-7/h5-6H,1-4H3,(H2,14,16)(H2,15,17)
InChIKey
MTEHAHOUBHCVDM-UHFFFAOYSA-N
Compound name
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14413 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15141 157.3
[M+Na]+ 286.13335 166.2
[M-H]- 262.13685 164.1
[M+NH4]+ 281.17795 175.2
[M+K]+ 302.10729 166.3
[M+H-H2O]+ 246.14139 151.8
[M+HCOO]- 308.14233 177.4
[M+CH3COO]- 322.15798 201.3
[M+Na-2H]- 284.11880 160.9
[M]+ 263.14358 157.8
[M]- 263.14468 157.8
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

No patent data available for this compound.