CID 3069814

2-propanol 1-(dicyclohexylamino)-3-(8-quinolinyloxy)-

Structural Information

Molecular Formula
C24H34N2O2
SMILES
C1CCC(CC1)N(CC(COC2=CC=CC3=C2N=CC=C3)O)C4CCCCC4
InChI
InChI=1S/C24H34N2O2/c27-22(18-28-23-15-7-9-19-10-8-16-25-24(19)23)17-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h7-10,15-16,20-22,27H,1-6,11-14,17-18H2
InChIKey
DNNHUAFLXMCDHZ-UHFFFAOYSA-N
Compound name
1-(dicyclohexylamino)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 192.6
[M+Na]+ 405.25124 190.2
[M-H]- 381.25474 198.0
[M+NH4]+ 400.29584 201.5
[M+K]+ 421.22518 185.9
[M+H-H2O]+ 365.25928 180.9
[M+HCOO]- 427.26022 203.8
[M+CH3COO]- 441.27587 198.0
[M+Na-2H]- 403.23669 192.4
[M]+ 382.26147 184.0
[M]- 382.26257 184.0
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.