CID 54695476

Nsc648615

Structural Information

Molecular Formula
C18H10N2O5
SMILES
C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C18H10N2O5/c19-9-10-5-1-3-7-12(10)20-17(23)16(22)14-15(21)11-6-2-4-8-13(11)25-18(14)24/h1-8,21H,(H,20,23)
InChIKey
MGJDGMITBKIAHX-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)-2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.05896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06624 182.8
[M+Na]+ 357.04818 193.5
[M-H]- 333.05168 188.4
[M+NH4]+ 352.09278 193.2
[M+K]+ 373.02212 188.3
[M+H-H2O]+ 317.05622 168.1
[M+HCOO]- 379.05716 199.7
[M+CH3COO]- 393.07281 219.5
[M+Na-2H]- 355.03363 185.9
[M]+ 334.05841 179.4
[M]- 334.05951 179.4
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.