CID 9574923

Stk436462

Structural Information

Molecular Formula
C17H16ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H16ClN3O3/c1-12(22)20-15-6-8-16(9-7-15)24-11-17(23)21-19-10-13-2-4-14(18)5-3-13/h2-10H,11H2,1H3,(H,20,22)(H,21,23)/b19-10+
InChIKey
RWCRSNINKRZEBF-VXLYETTFSA-N
Compound name
2-(4-acetamidophenoxy)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.088 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09528 179.6
[M+Na]+ 368.07722 185.5
[M-H]- 344.08072 187.4
[M+NH4]+ 363.12182 193.1
[M+K]+ 384.05116 181.1
[M+H-H2O]+ 328.08526 171.2
[M+HCOO]- 390.08620 202.2
[M+CH3COO]- 404.10185 218.1
[M+Na-2H]- 366.06267 183.3
[M]+ 345.08745 183.3
[M]- 345.08855 183.3
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.