CID 470955

120983-28-0

Structural Information

Molecular Formula

C₁₄H₉ClN₂O₃

SMILES

CC1=CC(=NO1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C14H9ClN2O3/c1-7-6-10(17-20-7)16-12-11(15)13(18)8-4-2-3-5-9(8)14(12)19/h2-6H,1H3,(H,16,17)

InChIKey

RETAXHWHRZEFKE-UHFFFAOYSA-N

Compound name

2-chloro-3-[(5-methyl-1,2-oxazol-3-yl)amino]naphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.03018 Da
Monoisotopic Mass: 3.2
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]+	289.037456	162.3
[M+Na]+	311.019398	174.2
[M-H]-	287.022904	170.4
[M+NH4]+	306.064003	179.2
[M+K]+	326.993338	169.6
[M+H-H2O]+	271.027440	155.6
[M+HCOO]-	333.028381	180.9
[M+CH3COO]-	347.044031	175.6
[M+Na-2H]-	309.004846	166.8
[M]+	288.02963142	167.0
[M]-	288.03072858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.