CID 155198

69112-94-3

Structural Information

Molecular Formula

C₁₉H₄₀N₂O

SMILES

CCCCCCCCCCCCCCCCCCN(C)N=O

InChI

InChI=1S/C19H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22/h3-19H2,1-2H3

InChIKey

BOZIJWXTDWOIBU-UHFFFAOYSA-N

Compound name

N-methyl-N-octadecylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 312.31406 Da
Monoisotopic Mass: 9.0
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]+	313.32134	185.2
[M+Na]+	335.30328	191.9
[M+NH4]+	330.34788	191.1
[M+K]+	351.27722	183.3
[M-H]-	311.30678	185.8
[M+Na-2H]-	333.28873	186.6
[M]+	312.31351	186.0
[M]-	312.31461	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe