CID 6436424

Oleic acid, diethylenetriamine amide

Structural Information

Molecular Formula
C22H45N3O
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN
InChI
InChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26)/b10-9-
InChIKey
FUJIFZPMNJHIDG-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(2-aminoethylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

367.35626 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.36354 201.0
[M+Na]+ 390.34548 199.3
[M-H]- 366.34898 197.6
[M+NH4]+ 385.39008 212.2
[M+K]+ 406.31942 194.5
[M+H-H2O]+ 350.35352 192.1
[M+HCOO]- 412.35446 221.5
[M+CH3COO]- 426.37011 229.3
[M+Na-2H]- 388.33093 198.2
[M]+ 367.35571 204.0
[M]- 367.35681 204.0
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

patents stripe