CID 9681625

Methyl 4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C17H14Cl2N2O4
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O4/c1-24-17(23)12-7-5-11(6-8-12)9-20-21-15(22)10-25-14-4-2-3-13(18)16(14)19/h2-9H,10H2,1H3,(H,21,22)/b20-9+
InChIKey
SWHYZHMRWXYMAB-AWQFTUOYSA-N
Compound name
methyl 4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.03305 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04033 183.6
[M+Na]+ 403.02227 191.6
[M-H]- 379.02577 191.2
[M+NH4]+ 398.06687 196.9
[M+K]+ 418.99621 186.7
[M+H-H2O]+ 363.03031 176.5
[M+HCOO]- 425.03125 200.4
[M+CH3COO]- 439.04690 220.3
[M+Na-2H]- 401.00772 185.7
[M]+ 380.03250 191.2
[M]- 380.03360 191.2
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.