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

317
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 175.4
[M+Na]+ 337.16485 179.4
[M-H]- 313.16835 181.7
[M+NH4]+ 332.20945 189.0
[M+K]+ 353.13879 171.2
[M+H-H2O]+ 297.17289 170.1
[M+HCOO]- 359.17383 195.8
[M+CH3COO]- 373.18948 203.2
[M+Na-2H]- 335.15030 181.2
[M]+ 314.17508 175.9
[M]- 314.17618 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