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 176.4
[M+Na]+ 332.18322 180.0
[M-H]- 308.18672 177.8
[M+NH4]+ 327.22782 190.1
[M+K]+ 348.15716 178.6
[M+H-H2O]+ 292.19126 169.0
[M+HCOO]- 354.19220 195.8
[M+CH3COO]- 368.20785 210.1
[M+Na-2H]- 330.16867 175.0
[M]+ 309.19345 180.4
[M]- 309.19455 180.4
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.