CID 3146650

3-methyl-n-propyl-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCCNC(=O)C1=C(C2=CC=CC=C2O1)C
InChI
InChI=1S/C13H15NO2/c1-3-8-14-13(15)12-9(2)10-6-4-5-7-11(10)16-12/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKey
IICUCKCUFCKWDN-UHFFFAOYSA-N
Compound name
3-methyl-N-propyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.8
[M+Na]+ 240.09950 157.0
[M-H]- 216.10300 153.8
[M+NH4]+ 235.14410 168.2
[M+K]+ 256.07344 155.1
[M+H-H2O]+ 200.10754 142.1
[M+HCOO]- 262.10848 172.9
[M+CH3COO]- 276.12413 191.0
[M+Na-2H]- 238.08495 154.2
[M]+ 217.10973 152.3
[M]- 217.11083 152.3
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

No patent data available for this compound.