CID 33442

1,1-bis(p-ethoxyphenyl)-2-nitrobutane

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCC(C(C1=CC=C(C=C1)OCC)C2=CC=C(C=C2)OCC)[N+](=O)[O-]
InChI
InChI=1S/C20H25NO4/c1-4-19(21(22)23)20(15-7-11-17(12-8-15)24-5-2)16-9-13-18(14-10-16)25-6-3/h7-14,19-20H,4-6H2,1-3H3
InChIKey
OMPQZFSIEGQWTR-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[1-(4-ethoxyphenyl)-2-nitrobutyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

343.17834 Da
Monoisotopic Mass

5.2
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

literature stripe

Patent stripe

patents stripe