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]+ 309.21728 178.1
[M+Na]+ 331.19922 180.1
[M-H]- 307.20272 179.1
[M+NH4]+ 326.24382 191.3
[M+K]+ 347.17316 178.0
[M+H-H2O]+ 291.20726 170.2
[M+HCOO]- 353.20820 198.3
[M+CH3COO]- 367.22385 211.2
[M+Na-2H]- 329.18467 177.6
[M]+ 308.20945 179.4
[M]- 308.21055 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.