CID 3078125

1-(bis(1-methylethyl)amino)-3-((6,7,8,9-tetrahydro-2-dibenzofuranyl)oxy)-2-propanol hcl

Structural Information

Molecular Formula
C21H31NO3
SMILES
CC(C)N(CC(COC1=CC2=C(C=C1)OC3=C2CCCC3)O)C(C)C
InChI
InChI=1S/C21H31NO3/c1-14(2)22(15(3)4)12-16(23)13-24-17-9-10-21-19(11-17)18-7-5-6-8-20(18)25-21/h9-11,14-16,23H,5-8,12-13H2,1-4H3
InChIKey
HTVCWRRSJCAFEZ-UHFFFAOYSA-N
Compound name
1-[di(propan-2-yl)amino]-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 184.5
[M+Na]+ 368.21962 193.9
[M+NH4]+ 363.26422 192.2
[M+K]+ 384.19356 190.4
[M-H]- 344.22312 188.1
[M+Na-2H]- 366.20507 186.3
[M]+ 345.22985 186.7
[M]- 345.23095 186.7
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.