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]+ 385.34248 207.1
[M+Na]+ 407.32442 206.3
[M-H]- 383.32792 205.9
[M+NH4]+ 402.36902 226.3
[M+K]+ 423.29836 204.6
[M+H-H2O]+ 367.33246 198.4
[M+HCOO]- 429.33340 229.2
[M+CH3COO]- 443.34905 232.0
[M+Na-2H]- 405.30987 203.0
[M]+ 384.33465 215.4
[M]- 384.33575 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.