CID 501375

Chembl132091

Structural Information

Molecular Formula
C17H21NO
SMILES
CN(C)CCCOC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
InChIKey
ITTYRYJIHNHJBL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(4-phenylphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

255.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.0
[M+Na]+ 278.15153 166.5
[M-H]- 254.15503 168.5
[M+NH4]+ 273.19613 178.1
[M+K]+ 294.12547 163.7
[M+H-H2O]+ 238.15957 152.5
[M+HCOO]- 300.16051 186.1
[M+CH3COO]- 314.17616 202.5
[M+Na-2H]- 276.13698 166.3
[M]+ 255.16176 163.4
[M]- 255.16286 163.4
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.