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

8
Patents

301.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 170.3
[M+Na]+ 324.120618 175.0
[M-H]- 300.124124 176.8
[M+NH4]+ 319.165223 184.1
[M+K]+ 340.094558 169.1
[M+H-H2O]+ 284.128660 166.6
[M+HCOO]- 346.129601 193.1
[M+CH3COO]- 360.145251 200.4
[M+Na-2H]- 322.106066 173.9
[M]+ 301.13085142 171.5
[M]- 301.13194858 171.5
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