CID 33441

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

Structural Information

Molecular Formula
C19H23NO4
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)[N+](=O)[O-]
InChI
InChI=1S/C19H23NO4/c1-4-23-17-10-6-15(7-11-17)19(14(3)20(21)22)16-8-12-18(13-9-16)24-5-2/h6-14,19H,4-5H2,1-3H3
InChIKey
TZAHJOSARIOWIQ-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[1-(4-ethoxyphenyl)-2-nitropropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

329.16272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 180.1
[M+Na]+ 352.15194 183.9
[M-H]- 328.15544 186.1
[M+NH4]+ 347.19654 192.7
[M+K]+ 368.12588 177.4
[M+H-H2O]+ 312.15998 176.0
[M+HCOO]- 374.16092 202.1
[M+CH3COO]- 388.17657 206.4
[M+Na-2H]- 350.13739 182.5
[M]+ 329.16217 182.0
[M]- 329.16327 182.0
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