CID 5371608

3-(3-nitrophenyl)-2'-acrylonaphthone

Structural Information

Molecular Formula
C19H13NO3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H13NO3/c21-19(11-8-14-4-3-7-18(12-14)20(22)23)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+
InChIKey
IXRSRSAIQNFEBQ-DHZHZOJOSA-N
Compound name
(E)-1-naphthalen-2-yl-3-(3-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

303.08954 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09682 169.7
[M+Na]+ 326.07876 175.5
[M-H]- 302.08226 176.9
[M+NH4]+ 321.12336 184.0
[M+K]+ 342.05270 166.2
[M+H-H2O]+ 286.08680 165.6
[M+HCOO]- 348.08774 192.5
[M+CH3COO]- 362.10339 198.9
[M+Na-2H]- 324.06421 176.3
[M]+ 303.08899 168.0
[M]- 303.09009 168.0
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.