CID 3069170

Brn 4438465

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(C)NCC(COC1=CC2=C(C=C1)N=CC=C2)O
InChI
InChI=1S/C15H20N2O2/c1-11(2)17-9-13(18)10-19-14-5-6-15-12(8-14)4-3-7-16-15/h3-8,11,13,17-18H,9-10H2,1-2H3
InChIKey
CVCRJCGVSWDUBK-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-quinolin-6-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 161.0
[M+Na]+ 283.141688 166.1
[M-H]- 259.145194 162.2
[M+NH4]+ 278.186293 176.2
[M+K]+ 299.115628 163.0
[M+H-H2O]+ 243.149730 153.2
[M+HCOO]- 305.150671 180.0
[M+CH3COO]- 319.166321 198.7
[M+Na-2H]- 281.127136 166.1
[M]+ 260.15192142 161.7
[M]- 260.15301858 161.7
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.