CID 9634907

1-(2-((2,3-dichlorophenoxy)ac)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H22Cl2N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C(=CC=C4)Cl)Cl)OC
InChI
InChI=1S/C28H22Cl2N2O6/c1-35-23-13-11-18(14-25(23)36-2)28(34)38-22-12-10-17-6-3-4-7-19(17)20(22)15-31-32-26(33)16-37-24-9-5-8-21(29)27(24)30/h3-15H,16H2,1-2H3,(H,32,33)/b31-15+
InChIKey
GEVKPEIDRXQZOR-IBBHUPRXSA-N
Compound name
[1-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.0855 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.09278 227.5
[M+Na]+ 575.07472 234.8
[M-H]- 551.07822 238.5
[M+NH4]+ 570.11932 234.3
[M+K]+ 591.04866 230.2
[M+H-H2O]+ 535.08276 217.1
[M+HCOO]- 597.08370 241.5
[M+CH3COO]- 611.09935 253.7
[M+Na-2H]- 573.06017 228.1
[M]+ 552.08495 239.3
[M]- 552.08605 239.3
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.