CID 9623031

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

Structural Information

Molecular Formula
C26H17Cl2N3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H17Cl2N3O4/c27-18-11-12-21(22(28)14-18)26(34)35-19-8-3-5-16(13-19)15-29-31-25(33)24(32)30-23-10-4-7-17-6-1-2-9-20(17)23/h1-15H,(H,30,32)(H,31,33)/b29-15+
InChIKey
PJHRYYIMIUJPCP-WKULSOCRSA-N
Compound name
[3-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.0596 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.06688 216.5
[M+Na]+ 528.04882 222.8
[M-H]- 504.05232 227.1
[M+NH4]+ 523.09342 224.5
[M+K]+ 544.02276 216.7
[M+H-H2O]+ 488.05686 206.8
[M+HCOO]- 550.05780 231.2
[M+CH3COO]- 564.07345 245.6
[M+Na-2H]- 526.03427 218.6
[M]+ 505.05905 222.4
[M]- 505.06015 222.4
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.