CID 9584140

765274-40-6

Structural Information

Molecular Formula
C18H17Cl2N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O5/c1-26-14-6-10(7-15(27-2)16(14)28-3)9-21-23-18(25)17(24)22-11-4-5-12(19)13(20)8-11/h4-9H,1-3H3,(H,22,24)(H,23,25)/b21-9+
InChIKey
ZMMUHLHVALSQRC-ZVBGSRNCSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.05453 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.06181 195.3
[M+Na]+ 448.04375 203.5
[M-H]- 424.04725 203.4
[M+NH4]+ 443.08835 207.0
[M+K]+ 464.01769 199.6
[M+H-H2O]+ 408.05179 188.0
[M+HCOO]- 470.05273 212.9
[M+CH3COO]- 484.06838 232.5
[M+Na-2H]- 446.02920 196.0
[M]+ 425.05398 204.7
[M]- 425.05508 204.7
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.