CID 49760954

1160247-30-2

Structural Information

Molecular Formula
C18H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C2C=CC(=C3)Br
InChI
InChI=1S/C18H22BrNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-15(21)13-10-12(19)4-5-14(13)18/h4-5,10H,6-9,11H2,1-3H3
InChIKey
ZYHGCPHMBLZTFS-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

379.0783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08558 185.8
[M+Na]+ 402.06752 195.7
[M-H]- 378.07102 193.2
[M+NH4]+ 397.11212 205.5
[M+K]+ 418.04146 184.7
[M+H-H2O]+ 362.07556 186.1
[M+HCOO]- 424.07650 198.6
[M+CH3COO]- 438.09215 211.1
[M+Na-2H]- 400.05297 188.5
[M]+ 379.07775 203.2
[M]- 379.07885 203.2
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