CID 9638780

2-(2-(4-((4-cl-benzyl)oxy)benzylidene)hydrazino)-n-(3-cl-4-me-ph)-2-oxoacetamide

Structural Information

Molecular Formula
C23H19Cl2N3O3
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H19Cl2N3O3/c1-15-2-9-19(12-21(15)25)27-22(29)23(30)28-26-13-16-5-10-20(11-6-16)31-14-17-3-7-18(24)8-4-17/h2-13H,14H2,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
WBDTYUGTQAXTRH-LGJNPRDNSA-N
Compound name
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.08035 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.087626 208.3
[M+Na]+ 478.069568 215.0
[M-H]- 454.073074 218.3
[M+NH4]+ 473.114173 217.9
[M+K]+ 494.043508 208.3
[M+H-H2O]+ 438.077610 199.1
[M+HCOO]- 500.078551 225.0
[M+CH3COO]- 514.094201 237.3
[M+Na-2H]- 476.055016 209.3
[M]+ 455.07980142 214.0
[M]- 455.08089858 214.0
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.