CID 58361

101418-48-8

Structural Information

Molecular Formula
C18H24N2O
SMILES
C1=CC=C(C=C1)OCC2=CC=C(C=C2)CCCNCCN
InChI
InChI=1S/C18H24N2O/c19-12-14-20-13-4-5-16-8-10-17(11-9-16)15-21-18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-15,19H2
InChIKey
AZJFQLFBPOSCEB-UHFFFAOYSA-N
Compound name
N'-[3-[4-(phenoxymethyl)phenyl]propyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 171.0
[M+Na]+ 307.17809 183.1
[M+NH4]+ 302.22269 179.2
[M+K]+ 323.15203 174.0
[M-H]- 283.18159 176.8
[M+Na-2H]- 305.16354 179.7
[M]+ 284.18832 174.3
[M]- 284.18942 174.3
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.