CID 36715

34197-26-7

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H19NO4/c1-12(18(19)20)17(13-4-8-15(21-2)9-5-13)14-6-10-16(22-3)11-7-14/h4-12,17H,1-3H3
InChIKey
PFPRAVYUXJWMGK-UHFFFAOYSA-N
Compound name
1-methoxy-4-[1-(4-methoxyphenyl)-2-nitropropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 168.4
[M+Na]+ 324.12062 182.3
[M+NH4]+ 319.16522 176.0
[M+K]+ 340.09456 178.5
[M-H]- 300.12412 173.6
[M+Na-2H]- 322.10607 176.1
[M]+ 301.13085 171.8
[M]- 301.13195 171.8
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