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 168.6
[M+Na]+ 314.11514 177.6
[M-H]- 290.11864 176.5
[M+NH4]+ 309.15974 188.1
[M+K]+ 330.08908 174.4
[M+H-H2O]+ 274.12318 162.1
[M+HCOO]- 336.12412 186.3
[M+CH3COO]- 350.13977 180.1
[M+Na-2H]- 312.10059 172.2
[M]+ 291.12537 164.9
[M]- 291.12647 164.9
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.