CID 213695

Brn 0442981

Structural Information

Molecular Formula
C23H16N2O2S
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C=NC3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C23H16N2O2S/c26-21-13-12-20(19-7-4-14-24-23(19)21)25-15-22(27)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-15,26H
InChIKey
UHKAXXKXOHUTRG-UHFFFAOYSA-N
Compound name
2-(8-hydroxyquinolin-5-yl)imino-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.09326 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10054 189.8
[M+Na]+ 407.08248 197.4
[M-H]- 383.08598 198.7
[M+NH4]+ 402.12708 200.5
[M+K]+ 423.05642 189.8
[M+H-H2O]+ 367.09052 179.4
[M+HCOO]- 429.09146 206.6
[M+CH3COO]- 443.10711 199.3
[M+Na-2H]- 405.06793 194.0
[M]+ 384.09271 191.8
[M]- 384.09381 191.8
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

patents stripe