CID 71482347

Serinolamide b

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCCCCCCC/C=C/CCC(=O)N[C@H](CO)COC
InChI
InChI=1S/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)23-21(19-24)20-26-2/h15-16,21,24H,3-14,17-20H2,1-2H3,(H,23,25)/b16-15+/t21-/m1/s1
InChIKey
IAONXYMLFOCVGA-UFBKIKKCSA-N
Compound name
(E)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]octadec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.32428 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.331556 202.7
[M+Na]+ 392.313498 202.1
[M-H]- 368.317004 198.6
[M+NH4]+ 387.358103 214.0
[M+K]+ 408.287438 198.0
[M+H-H2O]+ 352.321540 194.8
[M+HCOO]- 414.322481 219.9
[M+CH3COO]- 428.338131 221.8
[M+Na-2H]- 390.298946 198.6
[M]+ 369.32373142 208.8
[M]- 369.32482858 208.8
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.