CID 116191

Brn 0758398

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)C(=O)NC(=O)N3
InChI
InChI=1S/C17H14N2O2/c20-15-17(19-16(21)18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,18,19,20,21)
InChIKey
BPBYGUGIURNKEG-UHFFFAOYSA-N
Compound name
spiro[imidazolidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 165.6
[M+Na]+ 301.094748 173.9
[M-H]- 277.098254 169.6
[M+NH4]+ 296.139353 182.7
[M+K]+ 317.068688 169.5
[M+H-H2O]+ 261.102790 158.1
[M+HCOO]- 323.103731 179.8
[M+CH3COO]- 337.119381 175.6
[M+Na-2H]- 299.080196 170.0
[M]+ 278.10498142 158.1
[M]- 278.10607858 158.1
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.