CID 72748257

N-[1,3-dihydroxy-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]octanamide

Structural Information

Molecular Formula
C27H51NO3
SMILES
CCCCCCCCCCCCCC1=C(C1)C(C(CO)NC(=O)CCCCCCC)O
InChI
InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-16-17-19-23-21-24(23)27(31)25(22-29)28-26(30)20-18-15-8-6-4-2/h25,27,29,31H,3-22H2,1-2H3,(H,28,30)
InChIKey
WHXCOSOMEQMKRN-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

437.3869 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.39418 207.8
[M+Na]+ 460.37612 213.6
[M+NH4]+ 455.42072 224.1
[M+K]+ 476.35006 208.9
[M-H]- 436.37962 212.9
[M+Na-2H]- 458.36157 208.9
[M]+ 437.38635 210.6
[M]- 437.38745 210.6
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