CID 154699643

Ns00117394

Structural Information

Molecular Formula

C₁₉H₁₅NO₃

SMILES

CC(=O)N(C1C=CC2=C3C1C=CC=C3C(=O)C4=CC=CC=C24)O

InChI

InChI=1S/C19H15NO3/c1-11(21)20(23)17-10-9-13-12-5-2-3-6-14(12)19(22)16-8-4-7-15(17)18(13)16/h2-10,15,17,23H,1H3

InChIKey

HKNUZKJRYBXLDZ-UHFFFAOYSA-N

Compound name

N-hydroxy-N-(7-oxo-3,3a-dihydrobenzo[a]phenalen-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.1052 Da
Monoisotopic Mass: 1.8
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]+	306.112476	166.9
[M+Na]+	328.094418	174.0
[M-H]-	304.097924	172.2
[M+NH4]+	323.139023	184.5
[M+K]+	344.068358	170.1
[M+H-H2O]+	288.102460	159.0
[M+HCOO]-	350.103401	184.1
[M+CH3COO]-	364.119051	177.8
[M+Na-2H]-	326.079866	173.0
[M]+	305.10465142	167.6
[M]-	305.10574858	167.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.