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

329
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

literature stripe

Patent stripe

patents stripe