CID 943243

618402-74-7

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClNO2/c19-15-9-5-4-8-14(15)16-10-11-17(22-16)18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKey
NDBBXNVTSVHZKO-UHFFFAOYSA-N
Compound name
N-benzyl-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 172.8
[M+Na]+ 334.06054 180.8
[M-H]- 310.06404 183.3
[M+NH4]+ 329.10514 188.0
[M+K]+ 350.03448 175.6
[M+H-H2O]+ 294.06858 165.1
[M+HCOO]- 356.06952 193.0
[M+CH3COO]- 370.08517 184.9
[M+Na-2H]- 332.04599 176.2
[M]+ 311.07077 175.9
[M]- 311.07187 175.9
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.