CID 3047069

Brn 2300919

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)[N+](=O)[O-]
InChI
InChI=1S/C20H25NO4/c1-4-14-25-19-12-8-17(9-13-19)20(15(3)21(22)23)16-6-10-18(11-7-16)24-5-2/h6-13,15,20H,4-5,14H2,1-3H3
InChIKey
QFHDLFLKTJVPCL-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-nitro-1-(4-propoxyphenyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.17834 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.1
[M+Na]+ 366.16756 195.3
[M+NH4]+ 361.21216 189.1
[M+K]+ 382.14150 190.8
[M-H]- 342.17106 187.1
[M+Na-2H]- 364.15301 188.9
[M]+ 343.17779 185.3
[M]- 343.17889 185.3
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