CID 675057

N-[4-(diethylamino)phenyl]furan-2-carboxamide

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CO2
InChI
InChI=1S/C15H18N2O2/c1-3-17(4-2)13-9-7-12(8-10-13)16-15(18)14-6-5-11-19-14/h5-11H,3-4H2,1-2H3,(H,16,18)
InChIKey
MTRAVDMFUGBQBM-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

258.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 161.6
[M+Na]+ 281.126058 167.0
[M-H]- 257.129564 170.3
[M+NH4]+ 276.170663 178.7
[M+K]+ 297.099998 166.3
[M+H-H2O]+ 241.134100 153.7
[M+HCOO]- 303.135041 187.7
[M+CH3COO]- 317.150691 202.8
[M+Na-2H]- 279.111506 165.5
[M]+ 258.13629142 164.0
[M]- 258.13738858 164.0
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

patents stripe