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

7
Patents

258.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16124 154.2
[M+Na]+ 281.14318 166.2
[M-H]- 257.14668 160.7
[M+NH4]+ 276.18778 174.6
[M+K]+ 297.11712 164.3
[M+H-H2O]+ 241.15122 148.8
[M+HCOO]- 303.15216 172.8
[M+CH3COO]- 317.16781 168.0
[M+Na-2H]- 279.12863 158.9
[M]+ 258.15341 158.3
[M]- 258.15451 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