CID 211336

1-propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-(4-(1,1-dimethylethyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C25H35NO2
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C25H35NO2/c1-6-26(7-2)18-19-28-24-11-9-8-10-22(24)23(27)17-14-20-12-15-21(16-13-20)25(3,4)5/h8-13,15-16H,6-7,14,17-19H2,1-5H3
InChIKey
NQNPGYMRXIDNHE-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.26678 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27406 199.3
[M+Na]+ 404.25600 202.6
[M-H]- 380.25950 206.1
[M+NH4]+ 399.30060 211.4
[M+K]+ 420.22994 199.2
[M+H-H2O]+ 364.26404 190.1
[M+HCOO]- 426.26498 219.5
[M+CH3COO]- 440.28063 229.2
[M+Na-2H]- 402.24145 199.3
[M]+ 381.26623 204.5
[M]- 381.26733 204.5
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.