CID 3053668

M.g. 8962

Structural Information

Molecular Formula
C25H33NO5
SMILES
COC1=CC=CC=C1OCCOCCOCC(=O)NC2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C25H33NO5/c1-28-23-9-5-6-10-24(23)31-18-17-29-15-16-30-19-25(27)26-22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-10,21-22H,11-19H2,1H3,(H,26,27)
InChIKey
DNWCNHNLMQXSRK-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]-N-(4-phenylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.23587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.24315 204.2
[M+Na]+ 450.22509 204.3
[M-H]- 426.22859 211.4
[M+NH4]+ 445.26969 212.3
[M+K]+ 466.19903 201.2
[M+H-H2O]+ 410.23313 192.8
[M+HCOO]- 472.23407 222.8
[M+CH3COO]- 486.24972 228.7
[M+Na-2H]- 448.21054 204.0
[M]+ 427.23532 205.6
[M]- 427.23642 205.6
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.