CID 5705458

Stk494151

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C17H12N2O4/c20-14-7-3-1-5-12(14)17(22)19-18-9-11-10-23-15-8-4-2-6-13(15)16(11)21/h1-10,20H,(H,19,22)/b18-9+
InChIKey
WAFYGXXLTQAURQ-GIJQJNRQSA-N
Compound name
2-hydroxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 167.7
[M+Na]+ 331.06892 175.8
[M-H]- 307.07242 176.5
[M+NH4]+ 326.11352 181.2
[M+K]+ 347.04286 172.8
[M+H-H2O]+ 291.07696 158.8
[M+HCOO]- 353.07790 192.2
[M+CH3COO]- 367.09355 208.4
[M+Na-2H]- 329.05437 175.6
[M]+ 308.07915 169.7
[M]- 308.08025 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.