CID 20026291

71172-14-0

Structural Information

Molecular Formula
C17H19NO6
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H19NO6/c1-11(24-13-7-5-12(21-2)6-8-13)14-9-16(22-3)17(23-4)10-15(14)18(19)20/h5-11H,1-4H3
InChIKey
ITQITVQWMLOJJG-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-4-[1-(4-methoxyphenoxy)ethyl]-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.12125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12853 174.7
[M+Na]+ 356.11047 188.6
[M+NH4]+ 351.15507 181.1
[M+K]+ 372.08441 185.5
[M-H]- 332.11397 179.1
[M+Na-2H]- 354.09592 181.3
[M]+ 333.12070 177.8
[M]- 333.12180 177.8
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