CID 3043120

Rom 126

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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 199.6
[M+Na]+ 443.21526 200.1
[M-H]- 419.21876 202.1
[M+NH4]+ 438.25986 206.9
[M+K]+ 459.18920 198.2
[M+H-H2O]+ 403.22330 189.4
[M+HCOO]- 465.22424 219.3
[M+CH3COO]- 479.23989 227.9
[M+Na-2H]- 441.20071 200.1
[M]+ 420.22549 204.2
[M]- 420.22659 204.2
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.