CID 317208

Nsc247991

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CC2=CC=CC=C2C(=O)C3(C1)C(O3)C4=CN=CC=C4
InChI
InChI=1S/C17H15NO2/c19-15-14-8-2-1-5-12(14)6-3-9-17(15)16(20-17)13-7-4-10-18-11-13/h1-2,4-5,7-8,10-11,16H,3,6,9H2
InChIKey
PHQUEWTVSXWPHM-UHFFFAOYSA-N
Compound name
3'-pyridin-3-ylspiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 158.8
[M+Na]+ 288.09952 167.4
[M-H]- 264.10302 168.9
[M+NH4]+ 283.14412 170.2
[M+K]+ 304.07346 168.2
[M+H-H2O]+ 248.10756 151.5
[M+HCOO]- 310.10850 176.9
[M+CH3COO]- 324.12415 170.2
[M+Na-2H]- 286.08497 166.3
[M]+ 265.10975 157.7
[M]- 265.11085 157.7
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.