CID 9632331

1-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H16Cl2N2O5
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=C(C=C(C=C3)O)O)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H16Cl2N2O5/c26-15-6-8-18(21(27)11-15)25(33)34-23-10-5-14-3-1-2-4-17(14)20(23)13-28-29-24(32)19-9-7-16(30)12-22(19)31/h1-13,30-31H,(H,29,32)/b28-13+
InChIKey
OLMYYEVAJPIPJY-XODNFHPESA-N
Compound name
[1-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.04364 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.05092 211.0
[M+Na]+ 517.03286 219.2
[M-H]- 493.03636 220.1
[M+NH4]+ 512.07746 219.1
[M+K]+ 533.00680 212.8
[M+H-H2O]+ 477.04090 202.5
[M+HCOO]- 539.04184 223.1
[M+CH3COO]- 553.05749 239.4
[M+Na-2H]- 515.01831 212.3
[M]+ 494.04309 217.3
[M]- 494.04419 217.3
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.