CID 173643

Falirytmin

Structural Information

Molecular Formula
C24H36N2O6
SMILES
CCOC1=CC=CC=C1OCC(CNCCNCC(COC2=CC=CC=C2OCC)O)O
InChI
InChI=1S/C24H36N2O6/c1-3-29-21-9-5-7-11-23(21)31-17-19(27)15-25-13-14-26-16-20(28)18-32-24-12-8-6-10-22(24)30-4-2/h5-12,19-20,25-28H,3-4,13-18H2,1-2H3
InChIKey
LQRWQSNUPPEVHA-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenoxy)-3-[2-[[3-(2-ethoxyphenoxy)-2-hydroxypropyl]amino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

448.25732 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.264596 208.2
[M+Na]+ 471.246538 207.8
[M-H]- 447.250044 210.2
[M+NH4]+ 466.291143 214.3
[M+K]+ 487.220478 205.5
[M+H-H2O]+ 431.254580 197.6
[M+HCOO]- 493.255521 227.2
[M+CH3COO]- 507.271171 233.6
[M+Na-2H]- 469.231986 207.7
[M]+ 448.25677142 213.5
[M]- 448.25786858 213.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe