CID 9949207

150629-26-8

Structural Information

Molecular Formula

C₁₇H₁₉N₅O₂

SMILES

C1=CC2=C(C(=O)C3=C(C=CC(=C3C2=O)NCCN)NCCN)N=C1

InChI

InChI=1S/C17H19N5O2/c18-5-8-20-11-3-4-12(21-9-6-19)14-13(11)16(23)10-2-1-7-22-15(10)17(14)24/h1-4,7,20-21H,5-6,8-9,18-19H2

InChIKey

LERLSYZHEFMEBV-UHFFFAOYSA-N

Compound name

6,9-bis(2-aminoethylamino)benzo[g]quinoline-5,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 325.15387 Da
Monoisotopic Mass: 1.3
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]+	326.16115	171.9
[M+Na]+	348.14309	179.1
[M-H]-	324.14659	175.1
[M+NH4]+	343.18769	185.4
[M+K]+	364.11703	173.8
[M+H-H2O]+	308.15113	163.2
[M+HCOO]-	370.15207	194.1
[M+CH3COO]-	384.16772	222.0
[M+Na-2H]-	346.12854	178.2
[M]+	325.15332	170.1
[M]-	325.15442	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe