CID 6680

Solvent violet 13

Structural Information

Molecular Formula

C₂₁H₁₅NO₃

SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3

InChIKey

LJFWQNJLLOFIJK-UHFFFAOYSA-N

Compound name

1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 14730
Patents: 329.1052 Da
Monoisotopic Mass: 5.5
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]+	330.11248	176.4
[M+Na]+	352.09442	193.1
[M+NH4]+	347.13902	185.4
[M+K]+	368.06836	183.9
[M-H]-	328.09792	182.8
[M+Na-2H]-	350.07987	184.5
[M]+	329.10465	180.8
[M]-	329.10575	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe