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 157.8
[M+Na]+ 273.18116 162.2
[M-H]- 249.18466 162.1
[M+NH4]+ 268.22576 174.6
[M+K]+ 289.15510 154.6
[M+H-H2O]+ 233.18920 153.6
[M+HCOO]- 295.19014 182.0
[M+CH3COO]- 309.20579 198.8
[M+Na-2H]- 271.16661 165.0
[M]+ 250.19139 156.3
[M]- 250.19249 156.3
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.