CID 56653

(p-bromophenoxy)acetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H20BrNO3
SMILES
CCN(CC)CCOC(=O)COC1=CC=C(C=C1)Br
InChI
InChI=1S/C14H20BrNO3/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKey
RPLWTHIEEDQPCO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(4-bromophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06265 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06993 169.2
[M+Na]+ 352.05187 177.5
[M-H]- 328.05537 175.8
[M+NH4]+ 347.09647 187.1
[M+K]+ 368.02581 167.7
[M+H-H2O]+ 312.05991 167.0
[M+HCOO]- 374.06085 190.6
[M+CH3COO]- 388.07650 209.8
[M+Na-2H]- 350.03732 173.1
[M]+ 329.06210 192.6
[M]- 329.06320 192.6
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.