CID 373363

Nsc649578

Structural Information

Molecular Formula
C17H12ClNO4
SMILES
C1C(=C(C2=CC=CC=C2O1)O)C(=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClNO4/c18-10-5-7-11(8-6-10)19-17(22)16(21)13-9-23-14-4-2-1-3-12(14)15(13)20/h1-8,20H,9H2,(H,19,22)
InChIKey
JZFUURUIXQUXHN-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.04547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05275 171.6
[M+Na]+ 352.03469 179.3
[M-H]- 328.03819 178.6
[M+NH4]+ 347.07929 184.8
[M+K]+ 368.00863 175.3
[M+H-H2O]+ 312.04273 164.6
[M+HCOO]- 374.04367 186.6
[M+CH3COO]- 388.05932 207.0
[M+Na-2H]- 350.02014 176.2
[M]+ 329.04492 173.9
[M]- 329.04602 173.9
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.