CID 487283

4-(5-amino-8-quinolylthio)phenol

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC2=C(C=CC(=C2N=C1)SC3=CC=C(C=C3)O)N
InChI
InChI=1S/C15H12N2OS/c16-13-7-8-14(15-12(13)2-1-9-17-15)19-11-5-3-10(18)4-6-11/h1-9,18H,16H2
InChIKey
PCVMXAORWKNGEW-UHFFFAOYSA-N
Compound name
4-(5-aminoquinolin-8-yl)sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 156.8
[M+Na]+ 291.05627 166.4
[M-H]- 267.05977 161.9
[M+NH4]+ 286.10087 172.6
[M+K]+ 307.03021 159.6
[M+H-H2O]+ 251.06431 149.3
[M+HCOO]- 313.06525 173.5
[M+CH3COO]- 327.08090 168.5
[M+Na-2H]- 289.04172 162.2
[M]+ 268.06650 157.0
[M]- 268.06760 157.0
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

No patent data available for this compound.