CID 6436728

6,9-octadecadienamide, n,n-bis(2-hydroxyethyl)-, (6z,9z)-

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCC/C=C\C/C=C\CCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,12-13,24-25H,2-8,11,14-21H2,1H3/b10-9-,13-12-
InChIKey
XKYJMQUEXANIKY-UTJQPWESSA-N
Compound name
(6Z,9Z)-N,N-bis(2-hydroxyethyl)octadeca-6,9-dienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

367.30865 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.315926 201.4
[M+Na]+ 390.297868 201.1
[M-H]- 366.301374 197.4
[M+NH4]+ 385.342473 212.8
[M+K]+ 406.271808 196.5
[M+H-H2O]+ 350.305910 193.6
[M+HCOO]- 412.306851 218.7
[M+CH3COO]- 426.322501 220.4
[M+Na-2H]- 388.283316 197.3
[M]+ 367.30810142 206.6
[M]- 367.30919858 206.6
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.