CID 52036

(n-ethylcarbaniloylmethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C15H25N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)C[N+](C)(CC)CC
InChI
InChI=1S/C15H25N2O/c1-5-16(14-11-9-8-10-12-14)15(18)13-17(4,6-2)7-3/h8-12H,5-7,13H2,1-4H3/q+1
InChIKey
HBXDILIHBCDDMK-UHFFFAOYSA-N
Compound name
diethyl-[2-(N-ethylanilino)-2-oxoethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.19669 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.203966 159.6
[M+Na]+ 272.185908 163.7
[M-H]- 248.189414 165.5
[M+NH4]+ 267.230513 177.5
[M+K]+ 288.159848 157.6
[M+H-H2O]+ 232.193950 155.2
[M+HCOO]- 294.194891 183.6
[M+CH3COO]- 308.210541 200.1
[M+Na-2H]- 270.171356 166.8
[M]+ 249.19614142 161.1
[M]- 249.19723858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.