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

2
Patents

305.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 174.1
[M+Na]+ 328.15194 179.9
[M-H]- 304.15544 177.9
[M+NH4]+ 323.19654 189.5
[M+K]+ 344.12588 178.5
[M+H-H2O]+ 288.15998 167.5
[M+HCOO]- 350.16092 194.5
[M+CH3COO]- 364.17657 207.3
[M+Na-2H]- 326.13739 175.4
[M]+ 305.16217 179.7
[M]- 305.16327 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