CID 20836296

94006-18-5

Structural Information

Molecular Formula
C26H50N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCN(CCOC(=O)C)C(=O)C
InChI
InChI=1S/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-22-28(25(2)29)23-24-31-26(3)30/h11-12,27H,4-10,13-24H2,1-3H3/b12-11-
InChIKey
WBXMSJPVUUSZHF-QXMHVHEDSA-N
Compound name
2-[acetyl-[2-[[(Z)-octadec-9-enyl]amino]ethyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.38214 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.389416 222.8
[M+Na]+ 461.371358 246.3
[M-H]- 437.374864 228.9
[M+NH4]+ 456.415963 238.2
[M+K]+ 477.345298 217.3
[M+H-H2O]+ 421.379400 213.5
[M+HCOO]- 483.380341 240.1
[M+CH3COO]- 497.395991 242.9
[M+Na-2H]- 459.356806 216.8
[M]+ 438.38159142 232.0
[M]- 438.38268858 232.0
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.