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
2
Annotation Hits

0
References

316
Patents

314.17563 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.182906 175.4
[M+Na]+ 337.164848 179.4
[M-H]- 313.168354 181.7
[M+NH4]+ 332.209453 189.0
[M+K]+ 353.138788 171.2
[M+H-H2O]+ 297.172890 170.1
[M+HCOO]- 359.173831 195.8
[M+CH3COO]- 373.189481 203.2
[M+Na-2H]- 335.150296 181.2
[M]+ 314.17508142 175.9
[M]- 314.17617858 175.9
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