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]+ 303.097546 167.7
[M+Na]+ 325.079488 175.4
[M-H]- 301.082994 174.9
[M+NH4]+ 320.124093 180.2
[M+K]+ 341.053428 173.8
[M+H-H2O]+ 285.087530 159.6
[M+HCOO]- 347.088471 190.9
[M+CH3COO]- 361.104121 206.8
[M+Na-2H]- 323.064936 171.1
[M]+ 302.08972142 169.8
[M]- 302.09081858 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.