CID 201740

(2-(2-(p-chlorophenoxy)acetamido)ethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula
C15H24ClN2O2
SMILES
CC[N+](C)(CC)CCNC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H23ClN2O2/c1-4-18(3,5-2)11-10-17-15(19)12-20-14-8-6-13(16)7-9-14/h6-9H,4-5,10-12H2,1-3H3/p+1
InChIKey
KPWUCWXJWKXBQU-UHFFFAOYSA-O
Compound name
2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15262 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15990 169.1
[M+Na]+ 322.14184 181.7
[M+NH4]+ 317.18644 177.5
[M+K]+ 338.11578 175.3
[M-H]- 298.14534 173.1
[M+Na-2H]- 320.12729 175.8
[M]+ 299.15207 172.6
[M]- 299.15317 172.6
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.