CID 84250

1,4-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]benzene

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO4/c1-20-15-9-10-16(21-2)13(11-15)6-3-12-4-7-14(8-5-12)17(18)19/h3-11H,1-2H3
InChIKey
HVSBSYHEGIPGAW-UHFFFAOYSA-N
Compound name
1,4-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3
Patents

285.1001 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 165.2
[M+Na]+ 308.08932 172.2
[M-H]- 284.09282 172.2
[M+NH4]+ 303.13392 180.1
[M+K]+ 324.06326 164.8
[M+H-H2O]+ 268.09736 161.7
[M+HCOO]- 330.09830 190.5
[M+CH3COO]- 344.11395 195.5
[M+Na-2H]- 306.07477 171.0
[M]+ 285.09955 166.9
[M]- 285.10065 166.9
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.