CID 384246

Nsc673792

Structural Information

Molecular Formula

C₁₇H₁₈N₄O₃

SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCNCCO

InChI

InChI=1S/C17H18N4O3/c22-11-10-18-8-9-19-17-12-4-1-2-5-13(12)20-14-6-3-7-15(16(14)17)21(23)24/h1-7,18,22H,8-11H2,(H,19,20)

InChIKey

WWCHZSZUXCSNOQ-UHFFFAOYSA-N

Compound name

2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 326.13788 Da
Monoisotopic Mass: 2.2
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]+	327.145156	167.9
[M+Na]+	349.127098	173.7
[M-H]-	325.130604	170.6
[M+NH4]+	344.171703	180.4
[M+K]+	365.101038	164.5
[M+H-H2O]+	309.135140	163.5
[M+HCOO]-	371.136081	191.0
[M+CH3COO]-	385.151731	207.3
[M+Na-2H]-	347.112546	179.7
[M]+	326.13733142	168.1
[M]-	326.13842858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe