CID 59556

(2-carbanilino-1-methylethyl)diethylmethylammonium bromide

Structural Information

Molecular Formula
C15H25N2O
SMILES
CC[N+](C)(CC)C(C)CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C15H24N2O/c1-5-17(4,6-2)13(3)12-15(18)16-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3/p+1
InChIKey
NGFOKJZWAAFLAV-UHFFFAOYSA-O
Compound name
(4-anilino-4-oxobutan-2-yl)-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.19669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.203966 159.7
[M+Na]+ 272.185908 163.3
[M-H]- 248.189414 164.1
[M+NH4]+ 267.230513 176.9
[M+K]+ 288.159848 156.3
[M+H-H2O]+ 232.193950 155.6
[M+HCOO]- 294.194891 182.2
[M+CH3COO]- 308.210541 197.3
[M+Na-2H]- 270.171356 166.4
[M]+ 249.19614142 159.3
[M]- 249.19723858 159.3
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.