CID 38287

39543-80-1

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(=O)C1=CC2=C(O1)C(=CC=C2)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C17H23NO4/c1-11(19)15-8-12-6-5-7-14(16(12)22-15)21-10-13(20)9-18-17(2,3)4/h5-8,13,18,20H,9-10H2,1-4H3
InChIKey
SRKJBWACUFBLGI-UHFFFAOYSA-N
Compound name
1-[7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

305.16272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.3
[M+Na]+ 328.15194 179.9
[M-H]- 304.15544 177.4
[M+NH4]+ 323.19654 189.1
[M+K]+ 344.12588 178.6
[M+H-H2O]+ 288.15998 167.4
[M+HCOO]- 350.16092 193.2
[M+CH3COO]- 364.17657 206.2
[M+Na-2H]- 326.13739 177.0
[M]+ 305.16217 179.0
[M]- 305.16327 179.0
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