CID 108921

60316-43-0

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CNC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3NC

InChI

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

InChIKey

WBNXSOGPMIRTPK-UHFFFAOYSA-N

Compound name

1,8-bis(methylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 266.10553 Da
Monoisotopic Mass: 3.4
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