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]+ 421.233316 199.6
[M+Na]+ 443.215258 200.1
[M-H]- 419.218764 202.1
[M+NH4]+ 438.259863 206.9
[M+K]+ 459.189198 198.2
[M+H-H2O]+ 403.223300 189.4
[M+HCOO]- 465.224241 219.3
[M+CH3COO]- 479.239891 227.9
[M+Na-2H]- 441.200706 200.1
[M]+ 420.22549142 204.2
[M]- 420.22658858 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.