CID 3570131

380458-18-4

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
C1=CC(=CC(=C1)O)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC=CS4
InChI
InChI=1S/C19H15N3O2S/c23-14-5-1-3-13(11-14)16(22-19-21-9-10-25-19)15-7-6-12-4-2-8-20-17(12)18(15)24/h1-11,16,23-24H,(H,21,22)
InChIKey
UUVFMWBOSPFVIZ-UHFFFAOYSA-N
Compound name
7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

349.0885 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 176.5
[M+Na]+ 372.07772 185.6
[M-H]- 348.08122 183.1
[M+NH4]+ 367.12232 188.5
[M+K]+ 388.05166 178.3
[M+H-H2O]+ 332.08576 168.1
[M+HCOO]- 394.08670 192.6
[M+CH3COO]- 408.10235 186.8
[M+Na-2H]- 370.06317 180.3
[M]+ 349.08795 178.5
[M]- 349.08905 178.5
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.