CID 119056809

Tert-butyl 4-benzoyl-1h-indole-1-carboxylate

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-20(2,3)24-19(23)21-13-12-15-16(10-7-11-17(15)21)18(22)14-8-5-4-6-9-14/h4-13H,1-3H3

InChIKey

BZRIPQPQNYATSF-UHFFFAOYSA-N

Compound name

tert-butyl 4-benzoylindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.143776	177.0
[M+Na]+	344.125718	185.3
[M-H]-	320.129224	184.0
[M+NH4]+	339.170323	192.7
[M+K]+	360.099658	181.5
[M+H-H2O]+	304.133760	169.2
[M+HCOO]-	366.134701	197.4
[M+CH3COO]-	380.150351	206.7
[M+Na-2H]-	342.111166	180.4
[M]+	321.13595142	181.3
[M]-	321.13704858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.