CID 138110065

2304634-20-4

Structural Information

Molecular Formula
C21H28BNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=C3)C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H28BNO6/c1-19(2,3)27-18(25)23-12-15(22-28-20(4,5)21(6,7)29-22)14-11-13(17(24)26-8)9-10-16(14)23/h9-12H,1-8H3
InChIKey
LBLASFHFEYQRGN-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.20096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20824 188.7
[M+Na]+ 424.19018 198.6
[M-H]- 400.19368 197.8
[M+NH4]+ 419.23478 205.3
[M+K]+ 440.16412 199.6
[M+H-H2O]+ 384.19822 185.3
[M+HCOO]- 446.19916 205.2
[M+CH3COO]- 460.21481 222.0
[M+Na-2H]- 422.17563 190.8
[M]+ 401.20041 199.4
[M]- 401.20151 199.4
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

No patent data available for this compound.