CID 6479062

2-[(e)-2-(4-aminophenyl)vinyl]chromen-4-one

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)/C=C/C3=CC=C(C=C3)N
InChI
InChI=1S/C17H13NO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H,18H2/b10-7+
InChIKey
TZQNAJVBYQHHMJ-JXMROGBWSA-N
Compound name
2-[(E)-2-(4-aminophenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.0
[M+Na]+ 286.08386 168.4
[M-H]- 262.08736 167.4
[M+NH4]+ 281.12846 174.9
[M+K]+ 302.05780 163.7
[M+H-H2O]+ 246.09190 151.0
[M+HCOO]- 308.09284 182.4
[M+CH3COO]- 322.10849 171.8
[M+Na-2H]- 284.06931 166.5
[M]+ 263.09409 159.3
[M]- 263.09519 159.3
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.