CID 209983

Propiophenone, 5'-bromo-2'-(2-(diethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C15H22BrNO2
SMILES
CCC(=O)C1=C(C=CC(=C1)Br)OCCN(CC)CC
InChI
InChI=1S/C15H22BrNO2/c1-4-14(18)13-11-12(16)7-8-15(13)19-10-9-17(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey
IAONNBFRARHYHP-UHFFFAOYSA-N
Compound name
1-[5-bromo-2-[2-(diethylamino)ethoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09068 170.4
[M+Na]+ 350.07262 179.3
[M-H]- 326.07612 177.2
[M+NH4]+ 345.11722 188.7
[M+K]+ 366.04656 168.7
[M+H-H2O]+ 310.08066 168.4
[M+HCOO]- 372.08160 191.3
[M+CH3COO]- 386.09725 212.4
[M+Na-2H]- 348.05807 173.1
[M]+ 327.08285 193.3
[M]- 327.08395 193.3
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

No patent data available for this compound.