CID 59463255

1035235-28-9

Structural Information

Molecular Formula
C19H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CC3=CC=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-11-13-9-8-10-15(14(13)12-21)20-24-18(4,5)19(6,7)25-20/h8-10H,11-12H2,1-7H3
InChIKey
OFSNRLCTQYDTQE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

345.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21843 178.7
[M+Na]+ 368.20037 187.1
[M-H]- 344.20387 186.8
[M+NH4]+ 363.24497 197.5
[M+K]+ 384.17431 187.3
[M+H-H2O]+ 328.20841 175.0
[M+HCOO]- 390.20935 193.6
[M+CH3COO]- 404.22500 211.6
[M+Na-2H]- 366.18582 180.9
[M]+ 345.21060 183.9
[M]- 345.21170 183.9
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