CID 6441625

Ricinoleamide dea

Structural Information

Molecular Formula
C22H43NO4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N(CCO)CCO)O
InChI
InChI=1S/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3/b12-9-/t21-/m1/s1
InChIKey
PDVQCPFKYPYROG-ZDKIGPTLSA-N
Compound name
(Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

356
Patents

385.3192 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.32648 206.0
[M+Na]+ 408.30842 204.6
[M-H]- 384.31192 200.5
[M+NH4]+ 403.35302 211.1
[M+K]+ 424.28236 200.8
[M+H-H2O]+ 368.31646 198.2
[M+HCOO]- 430.31740 216.2
[M+CH3COO]- 444.33305 222.1
[M+Na-2H]- 406.29387 200.2
[M]+ 385.31865 210.8
[M]- 385.31975 210.8
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