CID 5802007

2,5-dimethoxy-4'-nitrostilbene

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=CC(=C(C=C1)OC)/C=C/C2=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/b6-3+
InChIKey
HVSBSYHEGIPGAW-ZZXKWVIFSA-N
Compound name
1,4-dimethoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 164.0
[M+Na]+ 308.08932 179.3
[M+NH4]+ 303.13392 171.7
[M+K]+ 324.06326 174.1
[M-H]- 284.09282 169.4
[M+Na-2H]- 306.07477 172.3
[M]+ 285.09955 167.7
[M]- 285.10065 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe