CID 21950914

113184-23-9

Structural Information

Molecular Formula
C19H24NO3
SMILES
C[N+](C)(C)CC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C19H24NO3/c1-20(2,3)13-17(21)14-23-18-11-9-16(10-12-18)19(22)15-7-5-4-6-8-15/h4-12,17,21H,13-14H2,1-3H3/q+1
InChIKey
DLFGTURTUYBHKE-UHFFFAOYSA-N
Compound name
[3-(4-benzoylphenoxy)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

314.17563 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18291 173.6
[M+Na]+ 337.16485 187.5
[M+NH4]+ 332.20945 181.9
[M+K]+ 353.13879 181.8
[M-H]- 313.16835 179.0
[M+Na-2H]- 335.15030 182.6
[M]+ 314.17508 177.5
[M]- 314.17618 177.5
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