CID 116189

Brn 1493136

Structural Information

Molecular Formula
C19H17NO2
SMILES
CN1C(=O)CC2(C1=O)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C19H17NO2/c1-20-17(21)12-19(18(20)22)15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3
InChIKey
MKLLVYALIHGMKY-UHFFFAOYSA-N
Compound name
1-methylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12592 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 167.0
[M+Na]+ 314.11514 179.2
[M+NH4]+ 309.15974 176.8
[M+K]+ 330.08908 172.4
[M-H]- 290.11864 170.5
[M+Na-2H]- 312.10059 173.3
[M]+ 291.12537 170.0
[M]- 291.12647 170.0
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.