CID 3023287

1,4-diamino-9,10-dihydroanthracene-9,10-diol

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC=C2C(C3=C(C=CC(=C3C(C2=C1)O)N)N)O

InChI

InChI=1S/C14H14N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,13-14,17-18H,15-16H2

InChIKey

BRWUPFWYFPEOMA-UHFFFAOYSA-N

Compound name

1,4-diamino-9,10-dihydroanthracene-9,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 0.3
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]+	243.112806	151.4
[M+Na]+	265.094748	160.5
[M-H]-	241.098254	154.1
[M+NH4]+	260.139353	169.4
[M+K]+	281.068688	155.1
[M+H-H2O]+	225.102790	145.5
[M+HCOO]-	287.103731	170.6
[M+CH3COO]-	301.119381	163.0
[M+Na-2H]-	263.080196	156.9
[M]+	242.10498142	147.3
[M]-	242.10607858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.