CID 10040052

Schembl2835760

Structural Information

Molecular Formula
C19H19NO2
SMILES
CC(C)C1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO2/c1-12(2)14-9-10-16-15(11-14)17(19(21)20-3)18(22-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)
InChIKey
ULGHUXFEAANPDN-UHFFFAOYSA-N
Compound name
N-methyl-2-phenyl-5-propan-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

293.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 170.1
[M+Na]+ 316.13079 178.5
[M-H]- 292.13429 179.2
[M+NH4]+ 311.17539 187.0
[M+K]+ 332.10473 175.3
[M+H-H2O]+ 276.13883 162.9
[M+HCOO]- 338.13977 193.5
[M+CH3COO]- 352.15542 207.0
[M+Na-2H]- 314.11624 173.4
[M]+ 293.14102 173.8
[M]- 293.14212 173.8
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