CID 74788440

1912446-60-6

Structural Information

Molecular Formula
C20H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CCC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-12-8-9-14-13-15(10-11-16(14)22)21-25-19(4,5)20(6,7)26-21/h10-11,13H,8-9,12H2,1-7H3
InChIKey
AGNYKMUEHDACGW-UHFFFAOYSA-N
Compound name
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.234056 183.9
[M+Na]+ 382.215998 191.1
[M-H]- 358.219504 191.3
[M+NH4]+ 377.260603 200.1
[M+K]+ 398.189938 191.3
[M+H-H2O]+ 342.224040 178.3
[M+HCOO]- 404.224981 196.1
[M+CH3COO]- 418.240631 215.0
[M+Na-2H]- 380.201446 186.7
[M]+ 359.22623142 187.2
[M]- 359.22732858 187.2
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