CID 71587375

Naetex q

Structural Information

Molecular Formula
C25H49N2O
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC
InChI
InChI=1S/C25H48N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2/h10-11,13-14H,5-9,12,15-24H2,1-4H3/p+1/b11-10-,14-13-
InChIKey
YNMPSKXPGNVMHT-XVTLYKPTSA-O
Compound name
ethyl-dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

158
Patents

393.3845 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.39178 209.4
[M+Na]+ 416.37372 208.8
[M-H]- 392.37722 226.2
[M+NH4]+ 411.41832 232.9
[M+K]+ 432.34766 198.4
[M+H-H2O]+ 376.38176 204.3
[M+HCOO]- 438.38270 247.7
[M+CH3COO]- 452.39835 228.1
[M+Na-2H]- 414.35917 209.6
[M]+ 393.38395 214.4
[M]- 393.38505 214.4
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.