CID 101634668

Pipereicosalidine

Structural Information

Molecular Formula
C25H43NO
SMILES
CCC/C=C\CCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1
InChI
InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(27)26-23-20-18-21-24-26/h4-5,16-17,19,22H,2-3,6-15,18,20-21,23-24H2,1H3/b5-4-,17-16+,22-19+
InChIKey
MKEWSYYOWWKTAK-AEPHKGLBSA-N
Compound name
(2E,4E,16Z)-1-piperidin-1-ylicosa-2,4,16-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

373.33447 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 203.9
[M+Na]+ 396.32369 202.6
[M-H]- 372.32719 202.0
[M+NH4]+ 391.36829 214.3
[M+K]+ 412.29763 195.8
[M+H-H2O]+ 356.33173 194.5
[M+HCOO]- 418.33267 217.5
[M+CH3COO]- 432.34832 220.0
[M+Na-2H]- 394.30914 199.4
[M]+ 373.33392 203.5
[M]- 373.33502 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe