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]+ 340.227096 186.3
[M+Na]+ 362.209038 190.4
[M-H]- 338.212544 193.3
[M+NH4]+ 357.253643 199.9
[M+K]+ 378.182978 187.0
[M+H-H2O]+ 322.217080 176.9
[M+HCOO]- 384.218021 209.0
[M+CH3COO]- 398.233671 220.5
[M+Na-2H]- 360.194486 186.9
[M]+ 339.21927142 190.9
[M]- 339.22036858 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.