CID 121266

Diethylmethyl(2-(o-nitrobenzamido)ethyl)ammonium bromide

Structural Information

Molecular Formula
C14H22N3O3
SMILES
CC[N+](C)(CC)CCNC(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C14H21N3O3/c1-4-17(3,5-2)11-10-15-14(18)12-8-6-7-9-13(12)16(19)20/h6-9H,4-5,10-11H2,1-3H3/p+1
InChIKey
VRHYWOIBSRJDIW-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-[(2-nitrobenzoyl)amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1661 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17338 164.5
[M+Na]+ 303.15532 176.4
[M+NH4]+ 298.19992 172.1
[M+K]+ 319.12926 197.8
[M-H]- 279.15882 169.4
[M+Na-2H]- 301.14077 170.5
[M]+ 280.16555 167.7
[M]- 280.16665 167.7
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.