CID 3053670

70265-59-7

Structural Information

Molecular Formula
C25H35NO4
SMILES
COC1=CC=CC=C1OCCOCCOCCNC2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C25H35NO4/c1-27-24-9-5-6-10-25(24)30-20-19-29-18-17-28-16-15-26-23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-10,22-23,26H,11-20H2,1H3
InChIKey
VCWJDGNUEZTYRD-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]-4-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.25662 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.26390 205.7
[M+Na]+ 436.24584 217.1
[M+NH4]+ 431.29044 212.6
[M+K]+ 452.21978 207.7
[M-H]- 412.24934 212.0
[M+Na-2H]- 434.23129 213.3
[M]+ 413.25607 209.0
[M]- 413.25717 209.0
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.