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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.0
[M+Na]+ 344.12572 188.7
[M+NH4]+ 339.17032 182.2
[M+K]+ 360.09966 184.2
[M-H]- 320.12922 177.7
[M+Na-2H]- 342.11117 182.5
[M]+ 321.13595 177.8
[M]- 321.13705 177.8
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.