CID 14320105

Hc orange no. 5

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCCN

InChI

InChI=1S/C16H14N2O2/c17-7-8-18-10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19/h1-6,9,18H,7-8,17H2

InChIKey

VCBHNMILEWXGLS-UHFFFAOYSA-N

Compound name

2-(2-aminoethylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1422
Patents: 266.10553 Da
Monoisotopic Mass: 1.9
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]+	267.112806	156.9
[M+Na]+	289.094748	165.4
[M-H]-	265.098254	162.1
[M+NH4]+	284.139353	175.0
[M+K]+	305.068688	160.3
[M+H-H2O]+	249.102790	149.7
[M+HCOO]-	311.103731	179.4
[M+CH3COO]-	325.119381	204.6
[M+Na-2H]-	287.080196	164.0
[M]+	266.10498142	156.0
[M]-	266.10607858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe