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]+ 355.08440 183.5
[M+Na]+ 377.06634 188.5
[M-H]- 353.06984 193.6
[M+NH4]+ 372.11094 195.9
[M+K]+ 393.04028 184.5
[M+H-H2O]+ 337.07438 175.2
[M+HCOO]- 399.07532 202.8
[M+CH3COO]- 413.09097 214.2
[M+Na-2H]- 375.05179 185.5
[M]+ 354.07657 185.5
[M]- 354.07767 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.