CID 14450674

Cem-420 e

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCN(CC)C1=CC=C(C=C1)/C=[N+](/C2=CC=C(C=C2)C(=O)OCC)\[O-]
InChI
InChI=1S/C20H24N2O3/c1-4-21(5-2)18-11-7-16(8-12-18)15-22(24)19-13-9-17(10-14-19)20(23)25-6-3/h7-15H,4-6H2,1-3H3/b22-15-
InChIKey
GRWDSSVTDTVMEV-JCMHNJIXSA-N
Compound name
1-[4-(diethylamino)phenyl]-N-(4-ethoxycarbonylphenyl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.4
[M+Na]+ 363.16790 195.4
[M+NH4]+ 358.21250 189.5
[M+K]+ 379.14184 190.3
[M-H]- 339.17140 188.4
[M+Na-2H]- 361.15335 189.8
[M]+ 340.17813 185.8
[M]- 340.17923 185.8
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

No patent data available for this compound.