CID 29919

20041-40-1

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)C(=O)C)OC)O
InChI
InChI=1S/C15H23NO4/c1-10(2)16-8-13(18)9-20-14-6-5-12(11(3)17)7-15(14)19-4/h5-7,10,13,16,18H,8-9H2,1-4H3
InChIKey
AGLQWIXYOOSQDY-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 166.9
[M+Na]+ 304.15194 175.6
[M+NH4]+ 299.19654 172.2
[M+K]+ 320.12588 171.7
[M-H]- 280.15544 166.9
[M+Na-2H]- 302.13739 169.6
[M]+ 281.16217 167.7
[M]- 281.16327 167.7
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

No patent data available for this compound.