CID 469034

Myr-gly-amide

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N
InChI
InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-14-15(17)19/h2-14H2,1H3,(H2,17,19)(H,18,20)
InChIKey
MIESNBKWDLNVOP-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

284.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.25365 176.8
[M+Na]+ 307.23559 178.2
[M-H]- 283.23909 174.6
[M+NH4]+ 302.28019 191.6
[M+K]+ 323.20953 175.6
[M+H-H2O]+ 267.24363 169.4
[M+HCOO]- 329.24457 197.5
[M+CH3COO]- 343.26022 209.7
[M+Na-2H]- 305.22104 175.3
[M]+ 284.24582 179.2
[M]- 284.24692 179.2
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.