CID 9633126

2-(2-(9-anthrylmethylene)hydrazino)-n-(2,5-dichlorophenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C23H15Cl2N3O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)C(=O)NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C23H15Cl2N3O2/c24-16-9-10-20(25)21(12-16)27-22(29)23(30)28-26-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,27,29)(H,28,30)/b26-13+
InChIKey
NVMBTCHAJWKEHI-LGJNPRDNSA-N
Compound name
N'-[(E)-anthracen-9-ylmethylideneamino]-N-(2,5-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.05414 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06142 199.5
[M+Na]+ 458.04336 208.8
[M-H]- 434.04686 208.5
[M+NH4]+ 453.08796 212.2
[M+K]+ 474.01730 201.0
[M+H-H2O]+ 418.05140 191.2
[M+HCOO]- 480.05234 215.5
[M+CH3COO]- 494.06799 209.3
[M+Na-2H]- 456.02881 205.4
[M]+ 435.05359 205.6
[M]- 435.05469 205.6
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.