CID 212849

2-propanol, 1,3-bis(p-aminophenoxy)-

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1=CC(=CC=C1N)OCC(COC2=CC=C(C=C2)N)O
InChI
InChI=1S/C15H18N2O3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10,16-17H2
InChIKey
FTQYNLXPSONGSQ-UHFFFAOYSA-N
Compound name
1,3-bis(4-aminophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 162.3
[M+Na]+ 297.120958 167.6
[M-H]- 273.124464 166.7
[M+NH4]+ 292.165563 176.4
[M+K]+ 313.094898 164.2
[M+H-H2O]+ 257.129000 154.2
[M+HCOO]- 319.129941 185.3
[M+CH3COO]- 333.145591 200.9
[M+Na-2H]- 295.106406 165.5
[M]+ 274.13119142 160.9
[M]- 274.13228858 160.9
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