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
2
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]+ 247.144106 156.8
[M+Na]+ 269.126048 162.9
[M-H]- 245.129554 157.2
[M+NH4]+ 264.170653 172.3
[M+K]+ 285.099988 159.2
[M+H-H2O]+ 229.134090 149.8
[M+HCOO]- 291.135031 174.6
[M+CH3COO]- 305.150681 194.6
[M+Na-2H]- 267.111496 161.3
[M]+ 246.13628142 155.7
[M]- 246.13737858 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

literature stripe

Patent stripe

patents stripe