CID 47752

1-a-2-baa [russian]

Structural Information

Molecular Formula

C₂₁H₁₄N₂O₃

SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C21H14N2O3/c22-18-16(23-21(26)12-6-2-1-3-7-12)11-10-15-17(18)20(25)14-9-5-4-8-13(14)19(15)24/h1-11H,22H2,(H,23,26)

InChIKey

MVHHOZOFGMVJFK-UHFFFAOYSA-N

Compound name

N-(1-amino-9,10-dioxoanthracen-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 342.10043 Da
Monoisotopic Mass: 3.6
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]+	343.107706	177.5
[M+Na]+	365.089648	185.6
[M-H]-	341.093154	185.7
[M+NH4]+	360.134253	191.7
[M+K]+	381.063588	179.8
[M+H-H2O]+	325.097690	168.4
[M+HCOO]-	387.098631	198.7
[M+CH3COO]-	401.114281	188.2
[M+Na-2H]-	363.075096	182.5
[M]+	342.09988142	176.0
[M]-	342.10097858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe