CID 38290

39543-94-7

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O
InChI
InChI=1S/C17H23NO4/c1-4-11(2)18-9-14(20)10-21-15-7-5-6-13-8-16(12(3)19)22-17(13)15/h5-8,11,14,18,20H,4,9-10H2,1-3H3
InChIKey
GTROMCBCQWPZHN-UHFFFAOYSA-N
Compound name
1-[7-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

305.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 174.1
[M+Na]+ 328.151938 179.9
[M-H]- 304.155444 177.9
[M+NH4]+ 323.196543 189.5
[M+K]+ 344.125878 178.5
[M+H-H2O]+ 288.159980 167.5
[M+HCOO]- 350.160921 194.5
[M+CH3COO]- 364.176571 207.3
[M+Na-2H]- 326.137386 175.4
[M]+ 305.16217142 179.7
[M]- 305.16326858 179.7
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