CID 46201470

848357-46-0

Structural Information

Molecular Formula
C15H18BNO6
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(=O)OC)(O)O
InChI
InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3
InChIKey
KQMBSTUEOCJFKS-UHFFFAOYSA-N
Compound name
[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

319.1227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12998 170.5
[M+Na]+ 342.11192 178.6
[M-H]- 318.11542 172.1
[M+NH4]+ 337.15652 185.5
[M+K]+ 358.08586 177.4
[M+H-H2O]+ 302.11996 164.9
[M+HCOO]- 364.12090 187.5
[M+CH3COO]- 378.13655 201.5
[M+Na-2H]- 340.09737 172.0
[M]+ 319.12215 176.4
[M]- 319.12325 176.4
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