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
3
Annotation Hits

0
References

163
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

literature stripe

Patent stripe

patents stripe