CID 3047373

63434-21-9

Structural Information

Molecular Formula
C19H25NO4
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC=C2)O)OC
InChI
InChI=1S/C19H25NO4/c1-22-18-9-8-15(12-19(18)23-2)10-11-20-13-16(21)14-24-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3
InChIKey
SUYWLUKAHMBOQE-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

331.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 179.3
[M+Na]+ 354.16756 183.5
[M-H]- 330.17106 183.9
[M+NH4]+ 349.21216 191.8
[M+K]+ 370.14150 180.5
[M+H-H2O]+ 314.17560 170.4
[M+HCOO]- 376.17654 201.3
[M+CH3COO]- 390.19219 210.8
[M+Na-2H]- 352.15301 182.0
[M]+ 331.17779 183.4
[M]- 331.17889 183.4
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

patents stripe