CID 120405

Brn 1322808

Structural Information

Molecular Formula
C21H35NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCN2CCCCC2
InChI
InChI=1S/C21H35NO3/c1-18(2)20-8-7-19(3)17-21(20)25-16-15-24-14-13-23-12-11-22-9-5-4-6-10-22/h7-8,17-18H,4-6,9-16H2,1-3H3
InChIKey
BNYQUKSIGBFQCF-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26898 189.6
[M+Na]+ 372.25092 200.0
[M+NH4]+ 367.29552 196.2
[M+K]+ 388.22486 192.3
[M-H]- 348.25442 192.4
[M+Na-2H]- 370.23637 194.1
[M]+ 349.26115 191.7
[M]- 349.26225 191.7
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.