CID 68333607

1192834-16-4

Structural Information

Molecular Formula
C16H20BrN3O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(NC2=O)N=CC(=C3)Br
InChI
InChI=1S/C16H20BrN3O3/c1-15(2,3)23-14(22)20-6-4-16(5-7-20)11-8-10(17)9-18-12(11)19-13(16)21/h8-9H,4-7H2,1-3H3,(H,18,19,21)
InChIKey
IUENRWIDEOHJOK-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

381.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07608 184.5
[M+Na]+ 404.05802 184.6
[M+NH4]+ 399.10262 187.8
[M+K]+ 420.03196 186.1
[M-H]- 380.06152 182.3
[M+Na-2H]- 402.04347 184.3
[M]+ 381.06825 182.6
[M]- 381.06935 182.6
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

patents stripe