CID 26258

Quinterenol

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)NCC(C1=C2C=CC=NC2=C(C=C1)O)O
InChI
InChI=1S/C14H18N2O2/c1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14/h3-7,9,13,16-18H,8H2,1-2H3
InChIKey
RSDQHEMTUCMUPQ-UHFFFAOYSA-N
Compound name
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

633
Patents

246.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.8
[M+Na]+ 269.12605 162.9
[M-H]- 245.12955 157.2
[M+NH4]+ 264.17065 172.3
[M+K]+ 285.09999 159.2
[M+H-H2O]+ 229.13409 149.8
[M+HCOO]- 291.13503 174.6
[M+CH3COO]- 305.15068 194.6
[M+Na-2H]- 267.11150 161.3
[M]+ 246.13628 155.7
[M]- 246.13738 155.7
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.