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]+ 383.269296 192.6
[M+Na]+ 405.251238 190.2
[M-H]- 381.254744 198.0
[M+NH4]+ 400.295843 201.5
[M+K]+ 421.225178 185.9
[M+H-H2O]+ 365.259280 180.9
[M+HCOO]- 427.260221 203.8
[M+CH3COO]- 441.275871 198.0
[M+Na-2H]- 403.236686 192.4
[M]+ 382.26147142 184.0
[M]- 382.26256858 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.