CID 3032493

Nitromifene

Structural Information

Molecular Formula
C27H28N2O4
SMILES
COC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\[N+](=O)[O-])/C3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C27H28N2O4/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3/b27-26+
InChIKey
MFKMXUFMHOCZHP-CYYJNZCTSA-N
Compound name
1-[2-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

124
References

590
Patents

444.2049 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.21218 208.5
[M+Na]+ 467.19412 221.7
[M+NH4]+ 462.23872 215.0
[M+K]+ 483.16806 217.7
[M-H]- 443.19762 216.4
[M+Na-2H]- 465.17957 217.5
[M]+ 444.20435 212.4
[M]- 444.20545 212.4
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

No patent data available for this compound.