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]+ 282.169996 167.1
[M+Na]+ 304.151938 171.7
[M-H]- 280.155444 169.0
[M+NH4]+ 299.196543 182.0
[M+K]+ 320.125878 170.7
[M+H-H2O]+ 264.159980 160.2
[M+HCOO]- 326.160921 187.2
[M+CH3COO]- 340.176571 204.1
[M+Na-2H]- 302.137386 166.8
[M]+ 281.16217142 170.5
[M]- 281.16326858 170.5
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.