CID 44152451

94139-10-3

Structural Information

Molecular Formula
C22H44N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCNCC)OC(=O)C
InChI
InChI=1S/C22H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24(27-21(3)25)20-19-23-5-2/h23H,4-20H2,1-3H3
InChIKey
LVKVIEXSVCMBJQ-UHFFFAOYSA-N
Compound name
[2-(ethylamino)ethyl-hexadecanoylamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.3352 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.342476 207.1
[M+Na]+ 407.324418 206.3
[M-H]- 383.327924 205.9
[M+NH4]+ 402.369023 226.3
[M+K]+ 423.298358 204.6
[M+H-H2O]+ 367.332460 198.4
[M+HCOO]- 429.333401 229.2
[M+CH3COO]- 443.349051 232.0
[M+Na-2H]- 405.309866 203.0
[M]+ 384.33465142 215.4
[M]- 384.33574858 215.4
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.