CID 59612967

1257431-69-8

Structural Information

Molecular Formula
C13H20BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)NC
InChI
InChI=1S/C13H20BN3O3/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(18)16-5)10(15)17-7-8/h6-7H,1-5H3,(H2,15,17)(H,16,18)
InChIKey
NZFANPCJTCWJFS-UHFFFAOYSA-N
Compound name
2-amino-N-methyl-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

16
Patents

277.15976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16704 161.2
[M+Na]+ 300.14898 169.8
[M-H]- 276.15248 168.4
[M+NH4]+ 295.19358 178.9
[M+K]+ 316.12292 170.0
[M+H-H2O]+ 260.15702 155.6
[M+HCOO]- 322.15796 181.6
[M+CH3COO]- 336.17361 204.1
[M+Na-2H]- 298.13443 165.4
[M]+ 277.15921 163.0
[M]- 277.16031 163.0
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