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 170.0
[M+Na]+ 322.14184 175.3
[M-H]- 298.14534 174.4
[M+NH4]+ 317.18644 186.2
[M+K]+ 338.11578 166.4
[M+H-H2O]+ 282.14988 166.5
[M+HCOO]- 344.15082 189.1
[M+CH3COO]- 358.16647 203.3
[M+Na-2H]- 320.12729 176.7
[M]+ 299.15207 174.1
[M]- 299.15317 174.1
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.