CID 14455177

123772-19-0

Structural Information

Molecular Formula

C₂₁H₄₃NO₃

SMILES

CCCCCCCCCCCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)22(17-19-23)18-20-24/h23-24H,2-20H2,1H3

InChIKey

IVFVNQFLODATQE-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)heptadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 357.32428 Da
Monoisotopic Mass: 6.2
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]+	358.331556	199.7
[M+Na]+	380.313498	199.1
[M-H]-	356.317004	195.7
[M+NH4]+	375.358103	211.5
[M+K]+	396.287438	195.9
[M+H-H2O]+	340.321540	191.9
[M+HCOO]-	402.322481	216.9
[M+CH3COO]-	416.338131	220.3
[M+Na-2H]-	378.298946	196.0
[M]+	357.32373142	206.1
[M]-	357.32482858	206.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe