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]+ 297.22850 168.1
[M+Na]+ 319.21044 168.5
[M-H]- 295.21394 168.3
[M+NH4]+ 314.25504 180.7
[M+K]+ 335.18438 165.7
[M+H-H2O]+ 279.21848 159.3
[M+HCOO]- 341.21942 192.0
[M+CH3COO]- 355.23507 211.7
[M+Na-2H]- 317.19589 172.1
[M]+ 296.22067 166.5
[M]- 296.22177 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.