CID 41496

55636-92-5

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(C)O)O
InChI
InChI=1S/C16H23NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10-11,13,17-19H,8-9H2,1-3H3
InChIKey
SOBIXRUSPZTLPQ-UHFFFAOYSA-N
Compound name
1-[[2-(1-hydroxyethyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

293.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.2
[M+Na]+ 316.15194 178.3
[M+NH4]+ 311.19654 175.3
[M+K]+ 332.12588 176.4
[M-H]- 292.15544 170.7
[M+Na-2H]- 314.13739 171.2
[M]+ 293.16217 170.6
[M]- 293.16327 170.6
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