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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03746 162.3
[M+Na]+ 311.01940 174.2
[M-H]- 287.02290 170.4
[M+NH4]+ 306.06400 179.2
[M+K]+ 326.99334 169.6
[M+H-H2O]+ 271.02744 155.6
[M+HCOO]- 333.02838 180.9
[M+CH3COO]- 347.04403 175.6
[M+Na-2H]- 309.00485 166.8
[M]+ 288.02963 167.0
[M]- 288.03073 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.