CID 38288

39543-84-5

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(=O)C1=CC2=C(O1)C=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C17H23NO4/c1-11(19)16-8-13-14(6-5-7-15(13)22-16)21-10-12(20)9-18-17(2,3)4/h5-8,12,18,20H,9-10H2,1-4H3
InChIKey
QKWGJWSWCIYETM-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.16272 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe