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]+ 312.078596 172.8
[M+Na]+ 334.060538 180.8
[M-H]- 310.064044 183.3
[M+NH4]+ 329.105143 188.0
[M+K]+ 350.034478 175.6
[M+H-H2O]+ 294.068580 165.1
[M+HCOO]- 356.069521 193.0
[M+CH3COO]- 370.085171 184.9
[M+Na-2H]- 332.045986 176.2
[M]+ 311.07077142 175.9
[M]- 311.07186858 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.