CID 101652057

N-(2,14-eicosadienoyl)piperidine

Structural Information

Molecular Formula
C25H45NO
SMILES
CCCCC/C=C/CCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChI
InChI=1S/C25H45NO/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/h6-7,19,22H,2-5,8-18,20-21,23-24H2,1H3/b7-6+,22-19+
InChIKey
PMZWLEVEIJUNIS-HAQNPCNKSA-N
Compound name
(2E,14E)-1-piperidin-1-ylicosa-2,14-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

375.35013 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.35741 205.2
[M+Na]+ 398.33935 203.5
[M-H]- 374.34285 203.2
[M+NH4]+ 393.38395 215.5
[M+K]+ 414.31329 197.3
[M+H-H2O]+ 358.34739 195.7
[M+HCOO]- 420.34833 218.5
[M+CH3COO]- 434.36398 221.4
[M+Na-2H]- 396.32480 200.7
[M]+ 375.34958 205.6
[M]- 375.35068 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

patents stripe