CID 15953975

2-[2-(2,6-dichloroanilino)phenyl]-n-[(e)-(2-nitrophenyl)methyleneamino]acetamide

Structural Information

Molecular Formula
C21H16Cl2N4O3
SMILES
C1=CC=C(C(=C1)CC(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-])NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H16Cl2N4O3/c22-16-8-5-9-17(23)21(16)25-18-10-3-1-6-14(18)12-20(28)26-24-13-15-7-2-4-11-19(15)27(29)30/h1-11,13,25H,12H2,(H,26,28)/b24-13+
InChIKey
LYASVONANJBQPV-ZMOGYAJESA-N
Compound name
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.05994 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.06722 205.0
[M+Na]+ 465.04916 209.7
[M-H]- 441.05266 214.1
[M+NH4]+ 460.09376 213.6
[M+K]+ 481.02310 199.0
[M+H-H2O]+ 425.05720 200.2
[M+HCOO]- 487.05814 223.1
[M+CH3COO]- 501.07379 229.4
[M+Na-2H]- 463.03461 208.9
[M]+ 442.05939 207.3
[M]- 442.06049 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.