CID 9639171

N-(4-cl-ph)-2-(2-(4-((4-methylbenzyl)oxy)benzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C23H20ClN3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H20ClN3O3/c1-16-2-4-18(5-3-16)15-30-21-12-6-17(7-13-21)14-25-27-23(29)22(28)26-20-10-8-19(24)9-11-20/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
UKEKKAJLMVWPBH-AFUMVMLFSA-N
Compound name
N-(4-chlorophenyl)-N'-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.11932 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.126596 201.6
[M+Na]+ 444.108538 207.0
[M-H]- 420.112044 212.1
[M+NH4]+ 439.153143 211.7
[M+K]+ 460.082478 201.2
[M+H-H2O]+ 404.116580 191.3
[M+HCOO]- 466.117521 223.3
[M+CH3COO]- 480.133171 232.5
[M+Na-2H]- 442.093986 204.1
[M]+ 421.11877142 205.2
[M]- 421.11986858 205.2
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.