CID 116190

Brn 1475625

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CC2=CC=CC=C2C3(CC(=O)NC3)C4=CC=CC=C41
InChI
InChI=1S/C18H17NO/c20-17-11-18(12-19-17)15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2,(H,19,20)
InChIKey
NFHMMNLSDVYWAP-UHFFFAOYSA-N
Compound name
spiro[pyrrolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 160.7
[M+Na]+ 286.12022 172.3
[M+NH4]+ 281.16482 171.1
[M+K]+ 302.09416 165.3
[M-H]- 262.12372 164.4
[M+Na-2H]- 284.10567 167.7
[M]+ 263.13045 163.7
[M]- 263.13155 163.7
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.