CID 4493563

5-(2-chlorophenyl)-n-(3-methylphenyl)-2-furamide

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClNO2/c1-12-5-4-6-13(11-12)20-18(21)17-10-9-16(22-17)14-7-2-3-8-15(14)19/h2-11H,1H3,(H,20,21)
InChIKey
IWVDSYUXRSKIFN-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-(3-methylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 172.9
[M+Na]+ 334.06054 181.8
[M-H]- 310.06404 183.8
[M+NH4]+ 329.10514 188.5
[M+K]+ 350.03448 176.7
[M+H-H2O]+ 294.06858 165.5
[M+HCOO]- 356.06952 193.1
[M+CH3COO]- 370.08517 185.4
[M+Na-2H]- 332.04599 175.6
[M]+ 311.07077 176.5
[M]- 311.07187 176.5
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.