CID 23779

7347-85-5

Structural Information

Molecular Formula
C21H28NO2
SMILES
CC[N+](C)(CC)C(C)COC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H28NO2/c1-5-22(4,6-2)17(3)16-24-20-15-11-10-14-19(20)21(23)18-12-8-7-9-13-18/h7-15,17H,5-6,16H2,1-4H3/q+1
InChIKey
YWBVMPZAVZERRQ-UHFFFAOYSA-N
Compound name
1-(2-benzoylphenoxy)propan-2-yl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.212 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21928 181.5
[M+Na]+ 349.20122 185.2
[M-H]- 325.20472 188.8
[M+NH4]+ 344.24582 195.4
[M+K]+ 365.17516 176.8
[M+H-H2O]+ 309.20926 175.7
[M+HCOO]- 371.21020 202.4
[M+CH3COO]- 385.22585 209.9
[M+Na-2H]- 347.18667 186.5
[M]+ 326.21145 183.2
[M]- 326.21255 183.2
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.