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]+ 344.185616 185.0
[M+Na]+ 366.167558 188.3
[M-H]- 342.171064 190.8
[M+NH4]+ 361.212163 196.9
[M+K]+ 382.141498 181.6
[M+H-H2O]+ 326.175600 180.6
[M+HCOO]- 388.176541 206.6
[M+CH3COO]- 402.192191 209.3
[M+Na-2H]- 364.153006 186.8
[M]+ 343.17779142 187.1
[M]- 343.17888858 187.1
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