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]+ 414.263896 201.9
[M+Na]+ 436.245838 202.1
[M-H]- 412.249344 208.9
[M+NH4]+ 431.290443 210.7
[M+K]+ 452.219778 198.2
[M+H-H2O]+ 396.253880 190.4
[M+HCOO]- 458.254821 221.1
[M+CH3COO]- 472.270471 227.0
[M+Na-2H]- 434.231286 202.6
[M]+ 413.25607142 203.2
[M]- 413.25716858 203.2
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.