CID 9926586

345630-40-2

Structural Information

Molecular Formula

C₁₉H₁₇NO₃

SMILES

CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)

InChIKey

VZQDDSYKVYARDW-UHFFFAOYSA-N

Compound name

N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 235
Patents: 307.12085 Da
Monoisotopic Mass: 3.1
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]+	308.128126	169.9
[M+Na]+	330.110068	178.2
[M-H]-	306.113574	175.5
[M+NH4]+	325.154673	186.9
[M+K]+	346.084008	174.0
[M+H-H2O]+	290.118110	163.1
[M+HCOO]-	352.119051	188.7
[M+CH3COO]-	366.134701	210.4
[M+Na-2H]-	328.095516	175.7
[M]+	307.12030142	171.1
[M]-	307.12139858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe