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 162.7
[M+Na]+ 286.12022 170.0
[M-H]- 262.12372 168.8
[M+NH4]+ 281.16482 182.2
[M+K]+ 302.09416 165.7
[M+H-H2O]+ 246.12826 156.3
[M+HCOO]- 308.12920 179.0
[M+CH3COO]- 322.14485 173.4
[M+Na-2H]- 284.10567 167.5
[M]+ 263.13045 155.6
[M]- 263.13155 155.6
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

No patent data available for this compound.