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

63
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23406 183.3
[M+Na]+ 382.21600 193.7
[M+NH4]+ 377.26060 192.5
[M+K]+ 398.18994 187.8
[M-H]- 358.21950 187.5
[M+Na-2H]- 380.20145 188.1
[M]+ 359.22623 186.3
[M]- 359.22733 186.3
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