CID 13670211

Octadecanoic acid, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula

C₂₄H₄₈N₂O₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)OC)N(C)C

InChI

InChI=1S/C24H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)26(25(2)3)22-21-24(28)29-4/h5-22H2,1-4H3

InChIKey

SHHRIFJTMSNXNQ-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(octadecanoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 412.3665 Da
Monoisotopic Mass: 8.2
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]+	413.373776	216.6
[M+Na]+	435.355718	215.2
[M-H]-	411.359224	225.5
[M+NH4]+	430.400323	236.6
[M+K]+	451.329658	214.3
[M+H-H2O]+	395.363760	207.4
[M+HCOO]-	457.364701	234.2
[M+CH3COO]-	471.380351	241.8
[M+Na-2H]-	433.341166	210.7
[M]+	412.36595142	228.6
[M]-	412.36704858	228.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe