CID 3070704

2-propanol, 1-(dimethylamino)-3-(2-(2-(4-(dimethylamino)phenyl)ethyl)phenoxy)-, dihydrochloride

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC=C(C=C2)N(C)C)O
InChI
InChI=1S/C21H30N2O2/c1-22(2)15-20(24)16-25-21-8-6-5-7-18(21)12-9-17-10-13-19(14-11-17)23(3)4/h5-8,10-11,13-14,20,24H,9,12,15-16H2,1-4H3
InChIKey
BATAHTIDJATXQM-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 187.2
[M+Na]+ 365.219958 190.1
[M-H]- 341.223464 194.3
[M+NH4]+ 360.264563 200.3
[M+K]+ 381.193898 188.3
[M+H-H2O]+ 325.228000 177.6
[M+HCOO]- 387.228941 210.0
[M+CH3COO]- 401.244591 224.3
[M+Na-2H]- 363.205406 187.5
[M]+ 342.23019142 190.8
[M]- 342.23128858 190.8
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.