CID 17189

2475-44-7

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O

InChI

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

InChIKey

QOSTVEDABRQTSU-UHFFFAOYSA-N

Compound name

1,4-bis(methylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 3639
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	156.8
[M+Na]+	289.09475	166.2
[M-H]-	265.09825	162.8
[M+NH4]+	284.13935	175.4
[M+K]+	305.06869	161.4
[M+H-H2O]+	249.10279	149.7
[M+HCOO]-	311.10373	179.9
[M+CH3COO]-	325.11938	206.4
[M+Na-2H]-	287.08020	164.1
[M]+	266.10498	157.3
[M]-	266.10608	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe