CID 116192

Brn 0674446

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)C(=O)NCN3
InChI
InChI=1S/C17H16N2O/c20-16-17(19-11-18-16)14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2,(H,18,20)
InChIKey
YGSCSZBZKJMUHC-UHFFFAOYSA-N
Compound name
spiro[imidazolidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 162.9
[M+Na]+ 287.11547 170.3
[M-H]- 263.11897 166.5
[M+NH4]+ 282.16007 180.4
[M+K]+ 303.08941 165.6
[M+H-H2O]+ 247.12351 155.2
[M+HCOO]- 309.12445 176.9
[M+CH3COO]- 323.14010 172.7
[M+Na-2H]- 285.10092 167.9
[M]+ 264.12570 154.4
[M]- 264.12680 154.4
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.