CID 53431522

919119-68-9

Structural Information

Molecular Formula
C19H27BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=C(N3)C(=O)N(CC)CC
InChI
InChI=1S/C19H27BN2O3/c1-7-22(8-2)17(23)15-12-13-10-9-11-14(16(13)21-15)20-24-18(3,4)19(5,6)25-20/h9-12,21H,7-8H2,1-6H3
InChIKey
FOCSIMFFBOMXDR-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

342.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21878 179.7
[M+Na]+ 365.20072 188.4
[M-H]- 341.20422 188.2
[M+NH4]+ 360.24532 198.1
[M+K]+ 381.17466 187.4
[M+H-H2O]+ 325.20876 174.5
[M+HCOO]- 387.20970 198.7
[M+CH3COO]- 401.22535 215.5
[M+Na-2H]- 363.18617 181.2
[M]+ 342.21095 185.5
[M]- 342.21205 185.5
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

No patent data available for this compound.