CID 109385

68444-15-5

Structural Information

Molecular Formula
C15H28N4O2
SMILES
C1=CC=C(C=C1)OCC(CNCCNCCNCCN)O
InChI
InChI=1S/C15H28N4O2/c16-6-7-17-8-9-18-10-11-19-12-14(20)13-21-15-4-2-1-3-5-15/h1-5,14,17-20H,6-13,16H2
InChIKey
KXCKFSLLAHRSOW-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.22122 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.228496 168.1
[M+Na]+ 319.210438 168.5
[M-H]- 295.213944 168.3
[M+NH4]+ 314.255043 180.7
[M+K]+ 335.184378 165.7
[M+H-H2O]+ 279.218480 159.3
[M+HCOO]- 341.219421 192.0
[M+CH3COO]- 355.235071 211.7
[M+Na-2H]- 317.195886 172.1
[M]+ 296.22067142 166.5
[M]- 296.22176858 166.5
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.