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

9
Patents

285.1001 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 165.2
[M+Na]+ 308.089318 172.2
[M-H]- 284.092824 172.2
[M+NH4]+ 303.133923 180.1
[M+K]+ 324.063258 164.8
[M+H-H2O]+ 268.097360 161.7
[M+HCOO]- 330.098301 190.5
[M+CH3COO]- 344.113951 195.5
[M+Na-2H]- 306.074766 171.0
[M]+ 285.09955142 166.9
[M]- 285.10064858 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.