CID 3062110

(e)-n-(2-(((2-amino-2-oxoethyl)imino)phenylmethyl)-4-chlorophenyl)acetamide

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CC(=O)NC1=C(C=C(C=C1)Cl)C(=NCC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H16ClN3O2/c1-11(22)21-15-8-7-13(18)9-14(15)17(20-10-16(19)23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,23)(H,21,22)
InChIKey
VNANEMSOUJINMB-UHFFFAOYSA-N
Compound name
2-[[(2-acetamido-5-chlorophenyl)-phenylmethylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 177.6
[M+Na]+ 352.082318 183.4
[M-H]- 328.085824 184.9
[M+NH4]+ 347.126923 191.5
[M+K]+ 368.056258 178.5
[M+H-H2O]+ 312.090360 169.7
[M+HCOO]- 374.091301 198.4
[M+CH3COO]- 388.106951 217.0
[M+Na-2H]- 350.067766 179.0
[M]+ 329.09255142 178.4
[M]- 329.09364858 178.4
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.