CID 42377

Brn 2870857

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCCNC(=O)C)O
InChI
InChI=1S/C17H28N2O3/c1-13(2)19-11-16(21)12-22-17-8-6-15(7-9-17)5-4-10-18-14(3)20/h6-9,13,16,19,21H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKey
LGDPMZTXBPFBSG-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 178.1
[M+Na]+ 331.199218 180.1
[M-H]- 307.202724 179.1
[M+NH4]+ 326.243823 191.3
[M+K]+ 347.173158 178.0
[M+H-H2O]+ 291.207260 170.2
[M+HCOO]- 353.208201 198.3
[M+CH3COO]- 367.223851 211.2
[M+Na-2H]- 329.184666 177.6
[M]+ 308.20945142 179.4
[M]- 308.21054858 179.4
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.