CID 211330

22908-71-0

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2C
InChI
InChI=1S/C22H29NO2/c1-4-23(5-2)16-17-25-22-13-9-8-12-20(22)21(24)15-14-19-11-7-6-10-18(19)3/h6-13H,4-5,14-17H2,1-3H3
InChIKey
FSJBAPQQIMSXQO-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 186.3
[M+Na]+ 362.20904 190.4
[M-H]- 338.21254 193.3
[M+NH4]+ 357.25364 199.9
[M+K]+ 378.18298 187.0
[M+H-H2O]+ 322.21708 176.9
[M+HCOO]- 384.21802 209.0
[M+CH3COO]- 398.23367 220.5
[M+Na-2H]- 360.19449 186.9
[M]+ 339.21927 190.9
[M]- 339.22037 190.9
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

No patent data available for this compound.