CID 71315566

Depropylamino chloro propafenone

Structural Information

Molecular Formula
C18H19ClO3
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CCl)O
InChI
InChI=1S/C18H19ClO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2
InChIKey
MSNQYFAIUPNYQK-UHFFFAOYSA-N
Compound name
1-[2-(3-chloro-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10226 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10954 173.0
[M+Na]+ 341.09148 178.7
[M-H]- 317.09498 177.6
[M+NH4]+ 336.13608 187.1
[M+K]+ 357.06542 173.3
[M+H-H2O]+ 301.09952 165.9
[M+HCOO]- 363.10046 188.9
[M+CH3COO]- 377.11611 203.2
[M+Na-2H]- 339.07693 174.9
[M]+ 318.10171 176.7
[M]- 318.10281 176.7
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