CID 129964274

1361110-65-7

Structural Information

Molecular Formula
C20H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CN(CCO3)C(=O)OC(C)(C)C)C=C2
InChI
InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-10-11-24-16-12-15(9-8-14(16)13-22)21-26-19(4,5)20(6,7)27-21/h8-9,12H,10-11,13H2,1-7H3
InChIKey
AZYLRHPNPQAURO-UHFFFAOYSA-N
Compound name
tert-butyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

375.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22898 188.8
[M+Na]+ 398.21092 196.9
[M+NH4]+ 393.25552 196.2
[M+K]+ 414.18486 193.4
[M-H]- 374.21442 193.0
[M+Na-2H]- 396.19637 192.0
[M]+ 375.22115 191.5
[M]- 375.22225 191.5
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