CID 51060019

3-anilino-1-(2-nitrophenyl)-2-buten-1-one

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C/C(=C\C(=O)C1=CC=CC=C1[N+](=O)[O-])/NC2=CC=CC=C2
InChI
InChI=1S/C16H14N2O3/c1-12(17-13-7-3-2-4-8-13)11-16(19)14-9-5-6-10-15(14)18(20)21/h2-11,17H,1H3/b12-11+
InChIKey
FRGYVISPVGUDQU-VAWYXSNFSA-N
Compound name
(E)-3-anilino-1-(2-nitrophenyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.5
[M+Na]+ 305.08965 176.5
[M+NH4]+ 300.13425 170.7
[M+K]+ 321.06359 172.4
[M-H]- 281.09315 168.8
[M+Na-2H]- 303.07510 171.5
[M]+ 282.09988 166.6
[M]- 282.10098 166.6
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.