CID 10357867

Schembl2838925

Structural Information

Molecular Formula
C20H21NO2
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO2/c1-20(2,3)14-10-11-16-15(12-14)17(19(22)21-4)18(23-16)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,21,22)
InChIKey
XZEDJIYOODWKJY-UHFFFAOYSA-N
Compound name
5-tert-butyl-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

307.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 174.4
[M+Na]+ 330.14645 183.2
[M-H]- 306.14995 183.6
[M+NH4]+ 325.19105 191.0
[M+K]+ 346.12039 179.8
[M+H-H2O]+ 290.15449 167.6
[M+HCOO]- 352.15543 196.9
[M+CH3COO]- 366.17108 208.9
[M+Na-2H]- 328.13190 179.3
[M]+ 307.15668 178.6
[M]- 307.15778 178.6
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