CID 44150549

125594-49-2

Structural Information

Molecular Formula
C17H22NO2
SMILES
C1=CC=C(C=C1)C[N+](CCO)(CCO)C2=CC=CC=C2
InChI
InChI=1S/C17H22NO2/c19-13-11-18(12-14-20,17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,19-20H,11-15H2/q+1
InChIKey
YNYOXPBWCAKTQR-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-phenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.16504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17232 163.7
[M+Na]+ 295.15426 178.2
[M+NH4]+ 290.19886 173.0
[M+K]+ 311.12820 171.0
[M-H]- 271.15776 169.8
[M+Na-2H]- 293.13971 174.0
[M]+ 272.16449 168.0
[M]- 272.16559 168.0
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.