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 177.0
[M+Na]+ 344.12572 185.3
[M-H]- 320.12922 184.0
[M+NH4]+ 339.17032 192.7
[M+K]+ 360.09966 181.5
[M+H-H2O]+ 304.13376 169.2
[M+HCOO]- 366.13470 197.4
[M+CH3COO]- 380.15035 206.7
[M+Na-2H]- 342.11117 180.4
[M]+ 321.13595 181.3
[M]- 321.13705 181.3
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.