CID 9646265

477732-54-0

Structural Information

Molecular Formula
C23H17Cl2N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H17Cl2N3O5/c1-32-19-12-14(10-11-18(19)33-23(31)15-6-3-2-4-7-15)13-26-28-22(30)21(29)27-17-9-5-8-16(24)20(17)25/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
KFTTURMYZPAXPT-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.05453 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.06181 211.0
[M+Na]+ 508.04375 217.3
[M-H]- 484.04725 221.4
[M+NH4]+ 503.08835 219.2
[M+K]+ 524.01769 212.4
[M+H-H2O]+ 468.05179 201.9
[M+HCOO]- 530.05273 227.4
[M+CH3COO]- 544.06838 241.3
[M+Na-2H]- 506.02920 211.5
[M]+ 485.05398 218.3
[M]- 485.05508 218.3
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.