CID 6436523

Ricinoleamidopropyl dimethylamine

Structural Information

Molecular Formula
C23H46N2O2
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCCN(C)C)O
InChI
InChI=1S/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)/b14-11-/t22-/m1/s1
InChIKey
DWIUBTKCNCCGOO-QOYCNBSOSA-N
Compound name
(Z,12R)-N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

208
Patents

382.35593 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.36321 208.7
[M+Na]+ 405.34515 207.0
[M-H]- 381.34865 205.9
[M+NH4]+ 400.38975 224.0
[M+K]+ 421.31909 203.6
[M+H-H2O]+ 365.35319 200.2
[M+HCOO]- 427.35413 226.7
[M+CH3COO]- 441.36978 231.2
[M+Na-2H]- 403.33060 203.4
[M]+ 382.35538 214.0
[M]- 382.35648 214.0
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.