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]+ 250.20397 159.6
[M+Na]+ 272.18591 163.7
[M-H]- 248.18941 165.5
[M+NH4]+ 267.23051 177.5
[M+K]+ 288.15985 157.6
[M+H-H2O]+ 232.19395 155.2
[M+HCOO]- 294.19489 183.6
[M+CH3COO]- 308.21054 200.1
[M+Na-2H]- 270.17136 166.8
[M]+ 249.19614 161.1
[M]- 249.19724 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.