CID 72208233

1427587-32-3

Structural Information

Molecular Formula
C16H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)CC3)C
InChI
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-9-14(19)18(13)5/h7-8,10H,6,9H2,1-5H3
InChIKey
KBKLZANEYMGZGD-UHFFFAOYSA-N
Compound name
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

287.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17656 162.7
[M+Na]+ 310.15850 172.5
[M-H]- 286.16200 170.8
[M+NH4]+ 305.20310 182.0
[M+K]+ 326.13244 171.6
[M+H-H2O]+ 270.16654 156.8
[M+HCOO]- 332.16748 178.6
[M+CH3COO]- 346.18313 202.7
[M+Na-2H]- 308.14395 166.5
[M]+ 287.16873 164.8
[M]- 287.16983 164.8
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