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 163.7
[M+Na]+ 303.15532 167.5
[M-H]- 279.15882 168.3
[M+NH4]+ 298.19992 178.6
[M+K]+ 319.12926 156.6
[M+H-H2O]+ 263.16336 163.9
[M+HCOO]- 325.16430 188.2
[M+CH3COO]- 339.17995 196.0
[M+Na-2H]- 301.14077 172.9
[M]+ 280.16555 162.5
[M]- 280.16665 162.5
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.