CID 3070924

R 7262

Structural Information

Molecular Formula
C19H25NO5
SMILES
CC(=O)C1=CC2=C(O1)C=CC(=C2C(=O)C)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H25NO5/c1-11(21)17-8-14-15(25-17)6-7-16(18(14)12(2)22)24-10-13(23)9-20-19(3,4)5/h6-8,13,20,23H,9-10H2,1-5H3
InChIKey
LVLAYPUCBRWYIZ-UHFFFAOYSA-N
Compound name
1-[4-acetyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

347.17328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18056 183.7
[M+Na]+ 370.16250 190.0
[M-H]- 346.16600 187.9
[M+NH4]+ 365.20710 197.7
[M+K]+ 386.13644 189.1
[M+H-H2O]+ 330.17054 177.8
[M+HCOO]- 392.17148 202.2
[M+CH3COO]- 406.18713 215.8
[M+Na-2H]- 368.14795 184.8
[M]+ 347.17273 190.6
[M]- 347.17383 190.6
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