CID 76338

2987-66-8

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NC

InChI

InChI=1S/C16H14N2O2/c1-17-11-7-3-5-9-13(11)15(19)10-6-4-8-12(18-2)14(10)16(9)20/h3-8,17-18H,1-2H3

InChIKey

YGOKTRWIJMNYPH-UHFFFAOYSA-N

Compound name

1,5-bis(methylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 266.10553 Da
Monoisotopic Mass: 3.9
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]+	267.11281	158.8
[M+Na]+	289.09475	172.9
[M+NH4]+	284.13935	167.8
[M+K]+	305.06869	164.9
[M-H]-	265.09825	163.5
[M+Na-2H]-	287.08020	165.1
[M]+	266.10498	162.1
[M]-	266.10608	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe