CID 15089656

Schembl6576259

Structural Information

Molecular Formula

C₂₅H₄₆N

SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1CC

InChI

InChI=1S/C25H46N/c1-5-7-8-9-10-11-12-13-14-15-16-19-22-26(3,4)23-25-21-18-17-20-24(25)6-2/h17-18,20-21H,5-16,19,22-23H2,1-4H3/q+1

InChIKey

WPQJBHRAKXGISP-UHFFFAOYSA-N

Compound name

(2-ethylphenyl)methyl-dimethyl-tetradecylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 360.36304 Da
Monoisotopic Mass: 9.2
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]+	361.370316	200.3
[M+Na]+	383.352258	201.8
[M-H]-	359.355764	203.0
[M+NH4]+	378.396863	213.8
[M+K]+	399.326198	191.4
[M+H-H2O]+	343.360300	194.7
[M+HCOO]-	405.361241	219.9
[M+CH3COO]-	419.376891	222.3
[M+Na-2H]-	381.337706	202.8
[M]+	360.36249142	205.4
[M]-	360.36358858	205.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe