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

literature stripe

Patent stripe

patents stripe