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 174.7
[M+Na]+ 352.12676 178.0
[M-H]- 328.13026 180.8
[M+NH4]+ 347.17136 186.5
[M+K]+ 368.10070 170.9
[M+H-H2O]+ 312.13480 170.0
[M+HCOO]- 374.13574 200.6
[M+CH3COO]- 388.15139 207.8
[M+Na-2H]- 350.11221 180.7
[M]+ 329.13699 174.2
[M]- 329.13809 174.2
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.