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 168.2
[M+Na]+ 307.17809 172.2
[M-H]- 283.18159 173.4
[M+NH4]+ 302.22269 182.8
[M+K]+ 323.15203 167.4
[M+H-H2O]+ 267.18613 159.3
[M+HCOO]- 329.18707 192.9
[M+CH3COO]- 343.20272 206.4
[M+Na-2H]- 305.16354 173.2
[M]+ 284.18832 168.0
[M]- 284.18942 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.