CID 170146

38978-80-2

Structural Information

Molecular Formula

C₂₃H₂₂N₄O₄

SMILES

CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-2-26(16-17-31-23(28)18-6-4-3-5-7-18)21-12-8-19(9-13-21)24-25-20-10-14-22(15-11-20)27(29)30/h3-15H,2,16-17H2,1H3

InChIKey

HFAUUNNJWQYWET-UHFFFAOYSA-N

Compound name

2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 418.1641 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	419.171376	200.0
[M+Na]+	441.153318	201.6
[M-H]-	417.156824	212.3
[M+NH4]+	436.197923	208.7
[M+K]+	457.127258	195.5
[M+H-H2O]+	401.161360	191.9
[M+HCOO]-	463.162301	229.1
[M+CH3COO]-	477.177951	233.4
[M+Na-2H]-	439.138766	205.9
[M]+	418.16355142	201.8
[M]-	418.16464858	201.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe