CID 217305

38521-23-2

Structural Information

Molecular Formula
C14H21BrN2O2
SMILES
CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Br
InChI
InChI=1S/C14H21BrN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
UZWSEHZAMNIMGA-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08592 170.1
[M+Na]+ 351.06786 177.5
[M-H]- 327.07136 176.5
[M+NH4]+ 346.11246 187.6
[M+K]+ 367.04180 166.9
[M+H-H2O]+ 311.07590 167.2
[M+HCOO]- 373.07684 192.2
[M+CH3COO]- 387.09249 212.5
[M+Na-2H]- 349.05331 174.2
[M]+ 328.07809 191.3
[M]- 328.07919 191.3
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

patents stripe