CID 5354917

2-(benzyloxy)-5-(2-nitrovinyl)anisole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
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 165.7
[M+Na]+ 308.08932 171.7
[M-H]- 284.09282 172.2
[M+NH4]+ 303.13392 180.2
[M+K]+ 324.06326 164.3
[M+H-H2O]+ 268.09736 161.9
[M+HCOO]- 330.09830 190.9
[M+CH3COO]- 344.11395 194.3
[M+Na-2H]- 306.07477 172.0
[M]+ 285.09955 167.0
[M]- 285.10065 167.0
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

No patent data available for this compound.