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]+ 343.23802 187.2
[M+Na]+ 365.21996 190.1
[M-H]- 341.22346 194.3
[M+NH4]+ 360.26456 200.3
[M+K]+ 381.19390 188.3
[M+H-H2O]+ 325.22800 177.6
[M+HCOO]- 387.22894 210.0
[M+CH3COO]- 401.24459 224.3
[M+Na-2H]- 363.20541 187.5
[M]+ 342.23019 190.8
[M]- 342.23129 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.