CID 13498288

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

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O
InChI
InChI=1S/C19H31NO4/c1-6-14(4)23-11-17-9-16(15(5)21)7-8-19(17)24-12-18(22)10-20-13(2)3/h7-9,13-14,18,20,22H,6,10-12H2,1-5H3
InChIKey
IGMUBVKCNKXFDO-UHFFFAOYSA-N
Compound name
1-[3-(butan-2-yloxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2253 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 184.2
[M+Na]+ 360.21452 191.8
[M+NH4]+ 355.25912 188.7
[M+K]+ 376.18846 187.8
[M-H]- 336.21802 183.8
[M+Na-2H]- 358.19997 185.6
[M]+ 337.22475 184.8
[M]- 337.22585 184.8
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.