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]+ 330.144816 174.7
[M+Na]+ 352.126758 178.0
[M-H]- 328.130264 180.8
[M+NH4]+ 347.171363 186.5
[M+K]+ 368.100698 170.9
[M+H-H2O]+ 312.134800 170.0
[M+HCOO]- 374.135741 200.6
[M+CH3COO]- 388.151391 207.8
[M+Na-2H]- 350.112206 180.7
[M]+ 329.13699142 174.2
[M]- 329.13808858 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.