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 201.9
[M+Na]+ 436.24584 202.1
[M-H]- 412.24934 208.9
[M+NH4]+ 431.29044 210.7
[M+K]+ 452.21978 198.2
[M+H-H2O]+ 396.25388 190.4
[M+HCOO]- 458.25482 221.1
[M+CH3COO]- 472.27047 227.0
[M+Na-2H]- 434.23129 202.6
[M]+ 413.25607 203.2
[M]- 413.25717 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.