CID 1550152

Nsc636719

Structural Information

Molecular Formula
C17H14O2
SMILES
COC1=CC=CC(=C1)/C=C/2\CC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O2/c1-19-15-7-4-5-12(10-15)9-14-11-13-6-2-3-8-16(13)17(14)18/h2-10H,11H2,1H3/b14-9+
InChIKey
JBFBIBIFVKXKDA-NTEUORMPSA-N
Compound name
(2E)-2-[(3-methoxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

250.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 156.0
[M+Na]+ 273.08860 165.1
[M-H]- 249.09210 164.1
[M+NH4]+ 268.13320 176.2
[M+K]+ 289.06254 160.0
[M+H-H2O]+ 233.09664 149.3
[M+HCOO]- 295.09758 179.4
[M+CH3COO]- 309.11323 194.1
[M+Na-2H]- 271.07405 159.8
[M]+ 250.09883 156.8
[M]- 250.09993 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe