CID 13670210

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

Structural Information

Molecular Formula

C₂₂H₄₄N₂O₃

SMILES

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

InChI

InChI=1S/C22H44N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25)24(23(2)3)20-19-22(26)27-4/h5-20H2,1-4H3

InChIKey

QKBXFGGCXRIBRO-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(hexadecanoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 384.3352 Da
Monoisotopic Mass: 7.1
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]+	385.342476	207.7
[M+Na]+	407.324418	207.1
[M-H]-	383.327924	208.0
[M+NH4]+	402.369023	229.3
[M+K]+	423.298358	206.7
[M+H-H2O]+	367.332460	198.9
[M+HCOO]-	429.333401	227.6
[M+CH3COO]-	443.349051	236.0
[M+Na-2H]-	405.309866	202.8
[M]+	384.33465142	217.4
[M]-	384.33574858	217.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe