CID 198153

If rom 203

Structural Information

Molecular Formula
C20H28N2O4
SMILES
C1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=CC=C2)O)O
InChI
InChI=1S/C20H28N2O4/c23-17(15-25-19-7-3-1-4-8-19)13-21-11-12-22-14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-24H,11-16H2
InChIKey
ZRTJDAGDIFOGTM-UHFFFAOYSA-N
Compound name
1-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

360.2049 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 189.5
[M+Na]+ 383.19412 197.8
[M+NH4]+ 378.23872 194.7
[M+K]+ 399.16806 191.8
[M-H]- 359.19762 192.3
[M+Na-2H]- 381.17957 195.1
[M]+ 360.20435 191.0
[M]- 360.20545 191.0
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.