CID 6453688

N-stearoyl serine

Structural Information

Molecular Formula

C₂₁H₄₁NO₄

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C21H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h19,23H,2-18H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1

InChIKey

CLHUCXCVFSEJRR-IBGZPJMESA-N

Compound name

(2S)-3-hydroxy-2-(octadecanoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 371.30356 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	372.31084	201.4
[M+Na]+	394.29278	200.3
[M-H]-	370.29628	196.0
[M+NH4]+	389.33738	207.0
[M+K]+	410.26672	196.8
[M+H-H2O]+	354.30082	193.7
[M+HCOO]-	416.30176	212.3
[M+CH3COO]-	430.31741	219.9
[M+Na-2H]-	392.27823	196.1
[M]+	371.30301	205.9
[M]-	371.30411	205.9

Literature stripe

literature stripe

Patent stripe

patents stripe