CID 389549

Nsc685854

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]+ 252.10192 155.1
[M+Na]+ 274.08386 165.2
[M-H]- 250.08736 163.4
[M+NH4]+ 269.12846 175.0
[M+K]+ 290.05780 160.4
[M+H-H2O]+ 234.09190 148.3
[M+HCOO]- 296.09284 180.4
[M+CH3COO]- 310.10849 168.8
[M+Na-2H]- 272.06931 159.2
[M]+ 251.09409 156.5
[M]- 251.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.