CID 3019033

Einecs 279-873-7

Structural Information

Molecular Formula
C13H23N3O2
SMILES
C1=CC=C(C=C1)OCC(CNCCNCCN)O
InChI
InChI=1S/C13H23N3O2/c14-6-7-15-8-9-16-10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11,14H2
InChIKey
QSBWVURHHXWCOR-UHFFFAOYSA-N
Compound name
1-[2-(2-aminoethylamino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

253.17903 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.18631 158.5
[M+Na]+ 276.16825 160.7
[M-H]- 252.17175 159.1
[M+NH4]+ 271.21285 173.2
[M+K]+ 292.14219 158.1
[M+H-H2O]+ 236.17629 150.5
[M+HCOO]- 298.17723 182.1
[M+CH3COO]- 312.19288 200.3
[M+Na-2H]- 274.15370 162.9
[M]+ 253.17848 156.9
[M]- 253.17958 156.9
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

patents stripe