CID 9634393

2-methoxy-4-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H18Cl2N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H18Cl2N2O4/c1-33-24-13-16(9-12-23(24)34-26(32)21-11-10-18(27)14-22(21)28)15-29-30-25(31)20-8-4-6-17-5-2-3-7-19(17)20/h2-15H,1H3,(H,30,31)/b29-15+
InChIKey
UEGDWBKJMJNSMZ-WKULSOCRSA-N
Compound name
[2-methoxy-4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.06436 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.07164 214.9
[M+Na]+ 515.05358 231.9
[M+NH4]+ 510.09818 222.3
[M+K]+ 531.02752 221.3
[M-H]- 491.05708 222.6
[M+Na-2H]- 513.03903 224.7
[M]+ 492.06381 220.3
[M]- 492.06491 220.3
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.