CID 6433805

22344-60-1

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)C/C(=C/CN2CCCCC2)/C
InChI
InChI=1S/C23H36N2O2/c1-4-24(5-2)17-18-27-23(26)22-11-9-21(10-12-22)19-20(3)13-16-25-14-7-6-8-15-25/h9-13H,4-8,14-19H2,1-3H3/b20-13+
InChIKey
VYHCMVCUCQMMQQ-DEDYPNTBSA-N
Compound name
2-(diethylamino)ethyl 4-[(E)-2-methyl-4-piperidin-1-ylbut-2-enyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 197.5
[M+Na]+ 395.26690 197.2
[M-H]- 371.27040 201.3
[M+NH4]+ 390.31150 207.8
[M+K]+ 411.24084 193.9
[M+H-H2O]+ 355.27494 187.0
[M+HCOO]- 417.27588 213.4
[M+CH3COO]- 431.29153 224.7
[M+Na-2H]- 393.25235 194.3
[M]+ 372.27713 196.8
[M]- 372.27823 196.8
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.