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

0
Patents

249.19669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.20397 159.7
[M+Na]+ 272.18591 163.3
[M-H]- 248.18941 164.1
[M+NH4]+ 267.23051 176.9
[M+K]+ 288.15985 156.3
[M+H-H2O]+ 232.19395 155.6
[M+HCOO]- 294.19489 182.2
[M+CH3COO]- 308.21054 197.3
[M+Na-2H]- 270.17136 166.4
[M]+ 249.19614 159.3
[M]- 249.19724 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.