CID 6479054

(2z,4e)-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)penta-2,4-dien-1-one

Structural Information

Molecular Formula
C17H13NO5
SMILES
C1=CC=C(C(=C1)/C(=C/C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])/O)O
InChI
InChI=1S/C17H13NO5/c19-14(11-17(21)15-3-1-2-4-16(15)20)10-7-12-5-8-13(9-6-12)18(22)23/h1-11,20-21H/b10-7+,17-11-
InChIKey
KTGSTUCVPYVPOE-RMTJHLMQSA-N
Compound name
(1Z,4E)-1-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 169.9
[M+Na]+ 334.06860 174.5
[M-H]- 310.07210 173.7
[M+NH4]+ 329.11320 181.6
[M+K]+ 350.04254 165.6
[M+H-H2O]+ 294.07664 166.8
[M+HCOO]- 356.07758 190.4
[M+CH3COO]- 370.09323 193.1
[M+Na-2H]- 332.05405 172.9
[M]+ 311.07883 166.5
[M]- 311.07993 166.5
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.