CID 214065

Alpha-(2-(diethylamino)-1-(isobutoxymethyl)ethyl)benzhydrol hydrochloride

Structural Information

Molecular Formula
C24H35NO2
SMILES
CCN(CC)CC(COCC(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C24H35NO2/c1-5-25(6-2)17-23(19-27-18-20(3)4)24(26,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23,26H,5-6,17-19H2,1-4H3
InChIKey
ALUDMZURAQDVPG-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-3-(2-methylpropoxy)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.26678 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.27406 196.3
[M+Na]+ 392.25600 196.9
[M-H]- 368.25950 201.0
[M+NH4]+ 387.30060 207.4
[M+K]+ 408.22994 193.9
[M+H-H2O]+ 352.26404 187.1
[M+HCOO]- 414.26498 214.0
[M+CH3COO]- 428.28063 223.6
[M+Na-2H]- 390.24145 196.5
[M]+ 369.26623 198.5
[M]- 369.26733 198.5
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.