CID 24832576

2'-(ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)acetophenone fumarate (2:1)

Structural Information

Molecular Formula
C17H27NO4
SMILES
CCOCC1=C(C=CC(=C1)OCC(CNC(C)C)O)C(=O)C
InChI
InChI=1S/C17H27NO4/c1-5-21-10-14-8-16(6-7-17(14)13(4)19)22-11-15(20)9-18-12(2)3/h6-8,12,15,18,20H,5,9-11H2,1-4H3
InChIKey
KTNSZBLBFGBFMM-UHFFFAOYSA-N
Compound name
1-[2-(ethoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20128 175.7
[M+Na]+ 332.18322 184.0
[M+NH4]+ 327.22782 180.7
[M+K]+ 348.15716 179.6
[M-H]- 308.18672 175.6
[M+Na-2H]- 330.16867 177.9
[M]+ 309.19345 176.4
[M]- 309.19455 176.4
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.