CID 199210

18653-98-0

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2O)O
InChI
InChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,17-20H,9-12H2
InChIKey
MLFXJCXPSODAIS-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

367
Patents

272.15247 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 162.1
[M+Na]+ 295.14169 167.0
[M-H]- 271.14519 165.8
[M+NH4]+ 290.18629 176.3
[M+K]+ 311.11563 161.9
[M+H-H2O]+ 255.14973 154.2
[M+HCOO]- 317.15067 185.3
[M+CH3COO]- 331.16632 199.5
[M+Na-2H]- 293.12714 167.7
[M]+ 272.15192 160.4
[M]- 272.15302 160.4
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.