CID 279227

Nsc129561

Structural Information

Molecular Formula
C14H12BrNO3
SMILES
C1CC2(CC(C(=O)C3=CC=CC=C32)Br)C(=O)NC1=O
InChI
InChI=1S/C14H12BrNO3/c15-10-7-14(6-5-11(17)16-13(14)19)9-4-2-1-3-8(9)12(10)18/h1-4,10H,5-7H2,(H,16,17,19)
InChIKey
WCPWFRUJLWZRLS-UHFFFAOYSA-N
Compound name
2-bromospiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.00006 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00734 162.6
[M+Na]+ 343.98928 173.4
[M-H]- 319.99278 168.7
[M+NH4]+ 339.03388 181.8
[M+K]+ 359.96322 161.1
[M+H-H2O]+ 303.99732 162.2
[M+HCOO]- 365.99826 175.6
[M+CH3COO]- 380.01391 175.1
[M+Na-2H]- 341.97473 168.1
[M]+ 320.99951 175.9
[M]- 321.00061 175.9
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.