CID 170686

Mk 142

Structural Information

Molecular Formula
C22H32N2O6
SMILES
COC1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=C(C=C2)OC)O)O
InChI
InChI=1S/C22H32N2O6/c1-27-19-3-7-21(8-4-19)29-15-17(25)13-23-11-12-24-14-18(26)16-30-22-9-5-20(28-2)6-10-22/h3-10,17-18,23-26H,11-16H2,1-2H3
InChIKey
ZVXXHYUUXAYZPB-UHFFFAOYSA-N
Compound name
1-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

420.22604 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23332 203.5
[M+Na]+ 443.21526 211.0
[M+NH4]+ 438.25986 207.1
[M+K]+ 459.18920 206.2
[M-H]- 419.21876 205.3
[M+Na-2H]- 441.20071 207.2
[M]+ 420.22549 204.6
[M]- 420.22659 204.6
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.