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]+ 456.08763 208.3
[M+Na]+ 478.06957 215.0
[M-H]- 454.07307 218.3
[M+NH4]+ 473.11417 217.9
[M+K]+ 494.04351 208.3
[M+H-H2O]+ 438.07761 199.1
[M+HCOO]- 500.07855 225.0
[M+CH3COO]- 514.09420 237.3
[M+Na-2H]- 476.05502 209.3
[M]+ 455.07980 214.0
[M]- 455.08090 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.