CID 9636937

2-meo-4-(2-((1-naphthoylamino)ac)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H21Cl2N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H21Cl2N3O5/c1-37-25-13-17(9-12-24(25)38-28(36)22-11-10-19(29)14-23(22)30)15-32-33-26(34)16-31-27(35)21-8-4-6-18-5-2-3-7-20(18)21/h2-15H,16H2,1H3,(H,31,35)(H,33,34)/b32-15+
InChIKey
PKRJRRQARBGERM-VWJSQJICSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.0858 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.09308 227.3
[M+Na]+ 572.07502 233.1
[M-H]- 548.07852 237.9
[M+NH4]+ 567.11962 233.6
[M+K]+ 588.04896 227.8
[M+H-H2O]+ 532.08306 217.2
[M+HCOO]- 594.08400 241.4
[M+CH3COO]- 608.09965 255.2
[M+Na-2H]- 570.06047 228.0
[M]+ 549.08525 235.6
[M]- 549.08635 235.6
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.