CID 9626695

764653-67-0

Structural Information

Molecular Formula
C21H15ClN2O5
SMILES
C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C21H15ClN2O5/c22-15-3-1-2-14(10-15)21(28)29-17-7-4-13(5-8-17)12-23-24-20(27)18-9-6-16(25)11-19(18)26/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
ZUMGHXILYGUEHB-FSJBWODESA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.06696 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.074236 193.0
[M+Na]+ 433.056178 199.7
[M-H]- 409.059684 201.7
[M+NH4]+ 428.100783 202.5
[M+K]+ 449.030118 194.4
[M+H-H2O]+ 393.064220 184.0
[M+HCOO]- 455.065161 211.8
[M+CH3COO]- 469.080811 223.5
[M+Na-2H]- 431.041626 194.9
[M]+ 410.06641142 196.3
[M]- 410.06750858 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.