CID 120410

Piperidine, 1-(2-(2-(2-(2-(thymyloxy)ethoxy)ethoxy)ethoxy)ethyl)-

Structural Information

Molecular Formula
C23H39NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCOCCN2CCCCC2
InChI
InChI=1S/C23H39NO4/c1-20(2)22-8-7-21(3)19-23(22)28-18-17-27-16-15-26-14-13-25-12-11-24-9-5-4-6-10-24/h7-8,19-20H,4-6,9-18H2,1-3H3
InChIKey
JNUDZGSSSWTMDN-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2879 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.29518 201.4
[M+Na]+ 416.27712 202.0
[M-H]- 392.28062 204.0
[M+NH4]+ 411.32172 210.7
[M+K]+ 432.25106 199.4
[M+H-H2O]+ 376.28516 190.8
[M+HCOO]- 438.28610 216.7
[M+CH3COO]- 452.30175 223.5
[M+Na-2H]- 414.26257 199.1
[M]+ 393.28735 205.6
[M]- 393.28845 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.