CID 9635910

1-(2-((2-chlorophenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate

Structural Information

Molecular Formula
C26H18Cl2N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)COC3=CC=CC=C3Cl)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C26H18Cl2N2O4/c27-21-10-4-3-9-19(21)26(32)34-23-14-13-17-7-1-2-8-18(17)20(23)15-29-30-25(31)16-33-24-12-6-5-11-22(24)28/h1-15H,16H2,(H,30,31)/b29-15+
InChIKey
LETVMGWWILKXNF-WKULSOCRSA-N
Compound name
[1-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.06436 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.07164 214.1
[M+Na]+ 515.05358 221.3
[M-H]- 491.05708 224.6
[M+NH4]+ 510.09818 223.0
[M+K]+ 531.02752 214.7
[M+H-H2O]+ 475.06162 204.1
[M+HCOO]- 537.06256 228.5
[M+CH3COO]- 551.07821 241.3
[M+Na-2H]- 513.03903 216.5
[M]+ 492.06381 221.7
[M]- 492.06491 221.7
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.