CID 3406900

4-(bis(2-hydroxyethyl)amino)-n-(4-nitrobenzylidene)aniline

Structural Information

Molecular Formula
C17H19N3O4
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)N(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O4/c21-11-9-19(10-12-22)16-7-3-15(4-8-16)18-13-14-1-5-17(6-2-14)20(23)24/h1-8,13,21-22H,9-12H2
InChIKey
JFWPEGIUZVSGJG-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)methylideneamino]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 176.0
[M+Na]+ 352.12676 187.6
[M+NH4]+ 347.17136 182.2
[M+K]+ 368.10070 183.7
[M-H]- 328.13026 181.5
[M+Na-2H]- 350.11221 183.1
[M]+ 329.13699 178.9
[M]- 329.13809 178.9
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.