CID 9672211

477732-11-9

Structural Information

Molecular Formula
C17H13Cl2N3O4
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O4/c1-26-17(25)11-7-5-10(6-8-11)9-20-22-16(24)15(23)21-13-4-2-3-12(18)14(13)19/h2-9H,1H3,(H,21,23)(H,22,24)/b20-9+
InChIKey
AYGCKXOJPINGOY-AWQFTUOYSA-N
Compound name
methyl 4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.02832 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.03560 187.7
[M+Na]+ 416.01754 195.0
[M-H]- 392.02104 195.4
[M+NH4]+ 411.06214 200.1
[M+K]+ 431.99148 190.2
[M+H-H2O]+ 376.02558 180.7
[M+HCOO]- 438.02652 204.8
[M+CH3COO]- 452.04217 224.4
[M+Na-2H]- 414.00299 189.0
[M]+ 393.02777 193.4
[M]- 393.02887 193.4
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.