CID 688198

63909-29-5

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OCC2=CC=CC=C2
InChI
InChI=1S/C16H15NO4/c1-20-15-8-7-13(9-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b10-9+
InChIKey
JNMKPRLNICRRIV-MDZDMXLPSA-N
Compound name
1-methoxy-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

285.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.2
[M+Na]+ 308.08932 179.1
[M+NH4]+ 303.13392 171.9
[M+K]+ 324.06326 173.6
[M-H]- 284.09282 169.5
[M+Na-2H]- 306.07477 172.7
[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

literature stripe

Patent stripe

patents stripe