CID 165764998

Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline-2-carboxylate

Structural Information

Molecular Formula
C17H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)C(=O)OCC
InChI
InChI=1S/C17H21BN2O4/c1-6-22-15(21)14-19-10-11-9-12(7-8-13(11)20-14)18-23-16(2,3)17(4,5)24-18/h7-10H,6H2,1-5H3
InChIKey
MYVHGCLYOSTAOI-UHFFFAOYSA-N
Compound name
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16670 173.3
[M+Na]+ 351.14864 183.3
[M-H]- 327.15214 180.3
[M+NH4]+ 346.19324 189.2
[M+K]+ 367.12258 182.9
[M+H-H2O]+ 311.15668 165.9
[M+HCOO]- 373.15762 189.6
[M+CH3COO]- 387.17327 208.8
[M+Na-2H]- 349.13409 177.7
[M]+ 328.15887 179.4
[M]- 328.15997 179.4
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.