CID 6304940

3-(9-anthracenyl)-1-(4-nitrophenyl)-2-propen-1-one

Structural Information

Molecular Formula
C23H15NO3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H15NO3/c25-23(16-9-11-19(12-10-16)24(26)27)14-13-22-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)22/h1-15H/b14-13+
InChIKey
CRLQJXFYAJZIER-BUHFOSPRSA-N
Compound name
(E)-3-anthracen-9-yl-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1052 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11248 183.2
[M+Na]+ 376.09442 189.7
[M-H]- 352.09792 191.3
[M+NH4]+ 371.13902 196.2
[M+K]+ 392.06836 179.1
[M+H-H2O]+ 336.10246 177.7
[M+HCOO]- 398.10340 205.2
[M+CH3COO]- 412.11905 209.9
[M+Na-2H]- 374.07987 190.8
[M]+ 353.10465 182.9
[M]- 353.10575 182.9
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.