CID 45055217

3-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H19Cl2N3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H19Cl2N3O4/c28-19-11-12-23(24(29)14-19)27(35)36-20-8-3-5-17(13-20)15-31-32-25(33)16-30-26(34)22-10-4-7-18-6-1-2-9-21(18)22/h1-15H,16H2,(H,30,34)(H,32,33)/b31-15+
InChIKey
YEDOLPOJWVGPMZ-IBBHUPRXSA-N
Compound name
[3-[(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

519.07526 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.08254 220.5
[M+Na]+ 542.06448 226.3
[M-H]- 518.06798 230.9
[M+NH4]+ 537.10908 227.8
[M+K]+ 558.03842 219.9
[M+H-H2O]+ 502.07252 210.6
[M+HCOO]- 564.07346 234.8
[M+CH3COO]- 578.08911 249.0
[M+Na-2H]- 540.04993 222.2
[M]+ 519.07471 226.8
[M]- 519.07581 226.8
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.