CID 201742

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

Structural Information

Molecular Formula
C16H26ClN2O2
SMILES
CC[N+](CC)(CC)CCNC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C16H25ClN2O2/c1-4-19(5-2,6-3)12-11-18-16(20)13-21-15-9-7-14(17)8-10-15/h7-10H,4-6,11-13H2,1-3H3/p+1
InChIKey
CKCRKGCZKGPTBD-UHFFFAOYSA-O
Compound name
2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.16827 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17555 174.7
[M+Na]+ 336.15749 179.6
[M-H]- 312.16099 178.9
[M+NH4]+ 331.20209 190.4
[M+K]+ 352.13143 170.5
[M+H-H2O]+ 296.16553 171.0
[M+HCOO]- 358.16647 193.5
[M+CH3COO]- 372.18212 206.3
[M+Na-2H]- 334.14294 180.9
[M]+ 313.16772 179.2
[M]- 313.16882 179.2
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.