CID 15941

(2-(o-aminobenzamido)ethyl)diethylmethylammonium bromide

Structural Information

Molecular Formula
C14H24N3O
SMILES
CC[N+](C)(CC)CCNC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C14H23N3O/c1-4-17(3,5-2)11-10-16-14(18)12-8-6-7-9-13(12)15/h6-9H,4-5,10-11H2,1-3H3,(H2-,15,16,18)/p+1
InChIKey
PPYRIHLUKWMQQU-UHFFFAOYSA-O
Compound name
2-[(2-aminobenzoyl)amino]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19194 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.19922 158.6
[M+Na]+ 273.18116 169.5
[M+NH4]+ 268.22576 166.8
[M+K]+ 289.15510 164.3
[M-H]- 249.18466 163.2
[M+Na-2H]- 271.16661 165.2
[M]+ 250.19139 161.6
[M]- 250.19249 161.6
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.