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]+ 261.15975 161.0
[M+Na]+ 283.14169 166.1
[M-H]- 259.14519 162.2
[M+NH4]+ 278.18629 176.2
[M+K]+ 299.11563 163.0
[M+H-H2O]+ 243.14973 153.2
[M+HCOO]- 305.15067 180.0
[M+CH3COO]- 319.16632 198.7
[M+Na-2H]- 281.12714 166.1
[M]+ 260.15192 161.7
[M]- 260.15302 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.