CID 855022

5-(4-methylphenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=CC=C(C=C1)C2=CC=C(O2)C(=O)N
InChI
InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H2,13,14)
InChIKey
FNLZYXXWCFUJGM-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.8
[M+Na]+ 224.068198 151.3
[M-H]- 200.071704 150.6
[M+NH4]+ 219.112803 162.0
[M+K]+ 240.042138 149.5
[M+H-H2O]+ 184.076240 136.6
[M+HCOO]- 246.077181 167.8
[M+CH3COO]- 260.092831 186.5
[M+Na-2H]- 222.053646 147.1
[M]+ 201.07843142 143.3
[M]- 201.07952858 143.3
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

patents stripe