CID 5340296

Dtxsid901195126

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H13NO4/c1-21-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-11H,1H3/b11-4+
InChIKey
OEFOVQFJRDIUTL-NYYWCZLTSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

283.08447 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 164.1
[M+Na]+ 306.07369 170.2
[M-H]- 282.07719 170.7
[M+NH4]+ 301.11829 178.5
[M+K]+ 322.04763 162.6
[M+H-H2O]+ 266.08173 160.6
[M+HCOO]- 328.08267 188.5
[M+CH3COO]- 342.09832 194.1
[M+Na-2H]- 304.05914 169.3
[M]+ 283.08392 164.1
[M]- 283.08502 164.1
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