CID 72207585

2304634-64-6

Structural Information

Molecular Formula
C14H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CNC3=NC=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-9-8-17-12-11(9)10(6-7-16-12)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChIKey
VXIOLZPCDUGCKB-UHFFFAOYSA-N
Compound name
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

258.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.161236 154.2
[M+Na]+ 281.143178 166.2
[M-H]- 257.146684 160.7
[M+NH4]+ 276.187783 174.6
[M+K]+ 297.117118 164.3
[M+H-H2O]+ 241.151220 148.8
[M+HCOO]- 303.152161 172.8
[M+CH3COO]- 317.167811 168.0
[M+Na-2H]- 279.128626 158.9
[M]+ 258.15341142 158.3
[M]- 258.15450858 158.3
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