CID 3106351

N-{1-[(3-chlorophenyl)amino]-2-oxo-2-phenylethyl}furan-2-carboxamide

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
C1=CC=C(C=C1)C(=O)C(NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=CO3
InChI
InChI=1S/C19H15ClN2O3/c20-14-8-4-9-15(12-14)21-18(17(23)13-6-2-1-3-7-13)22-19(24)16-10-5-11-25-16/h1-12,18,21H,(H,22,24)
InChIKey
JVEYXGZNSROMPA-UHFFFAOYSA-N
Compound name
N-[1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.07712 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.084396 183.5
[M+Na]+ 377.066338 188.5
[M-H]- 353.069844 193.6
[M+NH4]+ 372.110943 195.9
[M+K]+ 393.040278 184.5
[M+H-H2O]+ 337.074380 175.2
[M+HCOO]- 399.075321 202.8
[M+CH3COO]- 413.090971 214.2
[M+Na-2H]- 375.051786 185.5
[M]+ 354.07657142 185.5
[M]- 354.07766858 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.