CID 33790

Solvent red 169

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC(C)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15NO2/c1-10(2)18-14-9-5-8-13-15(14)17(20)12-7-4-3-6-11(12)16(13)19/h3-10,18H,1-2H3

InChIKey

ATIYVSUEHXWMKF-UHFFFAOYSA-N

Compound name

1-(propan-2-ylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 249
Patents: 265.1103 Da
Monoisotopic Mass: 4.7
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]+	266.11758	158.0
[M+Na]+	288.09952	166.6
[M-H]-	264.10302	163.7
[M+NH4]+	283.14412	176.7
[M+K]+	304.07346	162.0
[M+H-H2O]+	248.10756	151.0
[M+HCOO]-	310.10850	178.8
[M+CH3COO]-	324.12415	203.9
[M+Na-2H]-	286.08497	163.8
[M]+	265.10975	158.4
[M]-	265.11085	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe