CID 135483936

Nsc635342

Structural Information

Molecular Formula
C15H14N2O5
SMILES
CC1=CC(=C(C(=O)O1)/C(=N/NC(=O)C2=CC=CC=C2O)/C)O
InChI
InChI=1S/C15H14N2O5/c1-8-7-12(19)13(15(21)22-8)9(2)16-17-14(20)10-5-3-4-6-11(10)18/h3-7,18-19H,1-2H3,(H,17,20)/b16-9+
InChIKey
SBZOHJIAHKMQJG-CXUHLZMHSA-N
Compound name
2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

302.09027 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 167.7
[M+Na]+ 325.07949 175.4
[M-H]- 301.08299 174.9
[M+NH4]+ 320.12409 180.2
[M+K]+ 341.05343 173.8
[M+H-H2O]+ 285.08753 159.6
[M+HCOO]- 347.08847 190.9
[M+CH3COO]- 361.10412 206.8
[M+Na-2H]- 323.06494 171.1
[M]+ 302.08972 169.8
[M]- 302.09082 169.8
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.