CID 71280674

Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate

Structural Information

Molecular Formula
C16H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=NC=C3C(=O)OCC)C=C2
InChI
InChI=1S/C16H21BN2O4/c1-6-21-14(20)12-9-18-13-8-7-11(10-19(12)13)17-22-15(2,3)16(4,5)23-17/h7-10H,6H2,1-5H3
InChIKey
UOHSOCKLCAQGPH-UHFFFAOYSA-N
Compound name
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

316.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16670 167.6
[M+Na]+ 339.14864 178.7
[M-H]- 315.15214 175.3
[M+NH4]+ 334.19324 186.0
[M+K]+ 355.12258 178.5
[M+H-H2O]+ 299.15668 161.9
[M+HCOO]- 361.15762 186.6
[M+CH3COO]- 375.17327 205.6
[M+Na-2H]- 337.13409 171.1
[M]+ 316.15887 175.7
[M]- 316.15997 175.7
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