CID 3078119

1-(cyclohexylamino)-3-((6,7,8,9-tetrahydro-2-dibenzofuranyl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C21H29NO3
SMILES
C1CCC(CC1)NCC(COC2=CC3=C(C=C2)OC4=C3CCCC4)O
InChI
InChI=1S/C21H29NO3/c23-16(13-22-15-6-2-1-3-7-15)14-24-17-10-11-21-19(12-17)18-8-4-5-9-20(18)25-21/h10-12,15-16,22-23H,1-9,13-14H2
InChIKey
JIZGIARZWYRPQX-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-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

343.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 179.5
[M+Na]+ 366.20397 181.5
[M-H]- 342.20747 185.3
[M+NH4]+ 361.24857 193.5
[M+K]+ 382.17791 177.9
[M+H-H2O]+ 326.21201 171.5
[M+HCOO]- 388.21295 194.1
[M+CH3COO]- 402.22860 188.0
[M+Na-2H]- 364.18942 181.5
[M]+ 343.21420 176.0
[M]- 343.21530 176.0
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.