CID 171121061

Rhombifoliamide

Structural Information

Molecular Formula
C43H85NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCC/C=C/CCCCCCC)O)O)O
InChI
InChI=1S/C43H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h16,26,39-42,45-48H,3-15,17-25,27-38H2,1-2H3,(H,44,49)/b26-16+/t39-,40+,41+,42-/m0/s1
InChIKey
CTQCXVKPVHUEJO-PUKJDGGFSA-N
Compound name
(2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-10-en-2-yl]pentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

695.64276 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.65004 281.6
[M+Na]+ 718.63198 283.7
[M-H]- 694.63548 268.7
[M+NH4]+ 713.67658 278.6
[M+K]+ 734.60592 288.5
[M+H-H2O]+ 678.64002 277.3
[M+HCOO]- 740.64096 268.5
[M+CH3COO]- 754.65661 279.8
[M+Na-2H]- 716.61743 260.7
[M]+ 695.64221 274.9
[M]- 695.64331 274.9
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.