CID 53851439

N-myristoyl glutamine

Structural Information

Molecular Formula
C19H36N2O4
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C19H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)21-16(19(24)25)14-15-17(20)22/h16H,2-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25)/t16-/m0/s1
InChIKey
GQCSFCKGCIEEJN-INIZCTEOSA-N
Compound name
(2S)-5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

356.26752 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27480 194.9
[M+Na]+ 379.25674 194.3
[M-H]- 355.26024 190.9
[M+NH4]+ 374.30134 202.7
[M+K]+ 395.23068 191.9
[M+H-H2O]+ 339.26478 187.1
[M+HCOO]- 401.26572 203.9
[M+CH3COO]- 415.28137 221.2
[M+Na-2H]- 377.24219 189.2
[M]+ 356.26697 197.4
[M]- 356.26807 197.4
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