CID 135874511

Inp 0341

Structural Information

Molecular Formula
C15H13ClN2O4
SMILES
CC1=CC(=CC(=C1O)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)Cl
InChI
InChI=1S/C15H13ClN2O4/c1-8-4-10(16)5-9(14(8)21)7-17-18-15(22)12-3-2-11(19)6-13(12)20/h2-7,19-21H,1H3,(H,18,22)/b17-7+
InChIKey
BZJWEAXPNLNVDX-REZTVBANSA-N
Compound name
N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

0
Patents

320.0564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06368 170.1
[M+Na]+ 343.04562 179.0
[M-H]- 319.04912 175.3
[M+NH4]+ 338.09022 183.9
[M+K]+ 359.01956 173.5
[M+H-H2O]+ 303.05366 163.7
[M+HCOO]- 365.05460 188.8
[M+CH3COO]- 379.07025 206.7
[M+Na-2H]- 341.03107 172.3
[M]+ 320.05585 172.3
[M]- 320.05695 172.3
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.