CID 9664112

477734-85-3

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl)OC
InChI
InChI=1S/C17H16Cl2N2O4/c1-23-13-7-6-11(8-15(13)24-2)9-20-21-16(22)10-25-14-5-3-4-12(18)17(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9+
InChIKey
ISCJZXHTEWVEKN-AWQFTUOYSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0487 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.055976 184.6
[M+Na]+ 405.037918 193.4
[M-H]- 381.041424 192.3
[M+NH4]+ 400.082523 198.2
[M+K]+ 421.011858 188.6
[M+H-H2O]+ 365.045960 177.4
[M+HCOO]- 427.046901 202.1
[M+CH3COO]- 441.062551 222.0
[M+Na-2H]- 403.023366 187.0
[M]+ 382.04815142 193.9
[M]- 382.04924858 193.9
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.