CID 46287

Benzylamine, n-ethyl-n-phenoxyethyl-, hydrochloride

Structural Information

Molecular Formula
C17H21NO
SMILES
CCN(CCOC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-2-18(15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKey
RSQSBVFDWNAHRL-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.2
[M+Na]+ 278.15153 165.7
[M-H]- 254.15503 168.2
[M+NH4]+ 273.19613 177.9
[M+K]+ 294.12547 162.9
[M+H-H2O]+ 238.15957 152.5
[M+HCOO]- 300.16051 186.3
[M+CH3COO]- 314.17616 201.4
[M+Na-2H]- 276.13698 167.2
[M]+ 255.16176 163.2
[M]- 255.16286 163.2
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.