CID 102152147

925230-13-3

Structural Information

Molecular Formula
C16H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=C(N3)C(=O)NC
InChI
InChI=1S/C16H21BN2O3/c1-15(2)16(3,4)22-17(21-15)11-8-6-7-10-9-12(14(20)18-5)19-13(10)11/h6-9,19H,1-5H3,(H,18,20)
InChIKey
JNYDSBRQNKLFIE-UHFFFAOYSA-N
Compound name
N-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17180 166.3
[M+Na]+ 323.15374 176.4
[M-H]- 299.15724 174.0
[M+NH4]+ 318.19834 185.9
[M+K]+ 339.12768 174.6
[M+H-H2O]+ 283.16178 161.6
[M+HCOO]- 345.16272 185.9
[M+CH3COO]- 359.17837 203.5
[M+Na-2H]- 321.13919 170.1
[M]+ 300.16397 170.1
[M]- 300.16507 170.1
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.