CID 389549

3-amino-2-(4-methoxyphenyl)-1h-inden-1-one

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C16H13NO2/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,17H2,1H3
InChIKey
GRRVQHAWHJWKLV-UHFFFAOYSA-N
Compound name
3-amino-2-(4-methoxyphenyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

251.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 155.1
[M+Na]+ 274.083858 165.2
[M-H]- 250.087364 163.4
[M+NH4]+ 269.128463 175.0
[M+K]+ 290.057798 160.4
[M+H-H2O]+ 234.091900 148.3
[M+HCOO]- 296.092841 180.4
[M+CH3COO]- 310.108491 168.8
[M+Na-2H]- 272.069306 159.2
[M]+ 251.09409142 156.5
[M]- 251.09518858 156.5
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

No patent data available for this compound.