CID 3056879

73855-38-6

Structural Information

Molecular Formula
C19H15N3OS
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC=CS4
InChI
InChI=1S/C19H15N3OS/c23-18-15(9-8-14-7-4-10-20-17(14)18)16(13-5-2-1-3-6-13)22-19-21-11-12-24-19/h1-12,16,23H,(H,21,22)
InChIKey
NQYFDGQDVDDGGJ-UHFFFAOYSA-N
Compound name
7-[phenyl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

333.0936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10088 173.6
[M+Na]+ 356.08282 189.5
[M+NH4]+ 351.12742 182.7
[M+K]+ 372.05676 180.7
[M-H]- 332.08632 180.5
[M+Na-2H]- 354.06827 184.9
[M]+ 333.09305 178.5
[M]- 333.09415 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

patents stripe