CID 6896356

305850-68-4

Structural Information

Molecular Formula
C16H14ClN3O3
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14ClN3O3/c1-23-14-8-6-13(7-9-14)19-15(21)16(22)20-18-10-11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKey
AWMDHBUPSGTVJS-VCHYOVAHSA-N
Compound name
N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07236 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07964 175.3
[M+Na]+ 354.06158 187.1
[M+NH4]+ 349.10618 181.8
[M+K]+ 370.03552 180.1
[M-H]- 330.06508 179.9
[M+Na-2H]- 352.04703 183.2
[M]+ 331.07181 178.3
[M]- 331.07291 178.3
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.