CID 9579176

Nsc732266

Structural Information

Molecular Formula
C17H11ClN2O6
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C17H11ClN2O6/c18-10-1-2-14-11(5-10)15(23)9(7-26-14)6-19-20-17(25)8-3-12(21)16(24)13(22)4-8/h1-7,21-22,24H,(H,20,25)/b19-6+
InChIKey
YLWBSNUXICLLOH-KPSZGOFPSA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-3,4,5-trihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.03058 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03786 181.1
[M+Na]+ 397.01980 191.2
[M-H]- 373.02330 188.2
[M+NH4]+ 392.06440 192.2
[M+K]+ 412.99374 187.2
[M+H-H2O]+ 357.02784 173.9
[M+HCOO]- 419.02878 198.4
[M+CH3COO]- 433.04443 216.7
[M+Na-2H]- 395.00525 185.9
[M]+ 374.03003 186.3
[M]- 374.03113 186.3
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.