CID 11616510

(2s)-2-pentadecyl-2,3-dihydro-1h-pyridin-6-one

Structural Information

Molecular Formula
C20H37NO
SMILES
CCCCCCCCCCCCCCC[C@H]1CC=CC(=O)N1
InChI
InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21-19/h15,18-19H,2-14,16-17H2,1H3,(H,21,22)/t19-/m0/s1
InChIKey
XEUGYYBGWMEOFL-IBGZPJMESA-N
Compound name
(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.2875 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.29478 183.4
[M+Na]+ 330.27672 184.8
[M-H]- 306.28022 181.5
[M+NH4]+ 325.32132 196.2
[M+K]+ 346.25066 179.5
[M+H-H2O]+ 290.28476 175.0
[M+HCOO]- 352.28570 199.0
[M+CH3COO]- 366.30135 207.5
[M+Na-2H]- 328.26217 182.5
[M]+ 307.28695 184.2
[M]- 307.28805 184.2
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.