CID 3088196

4(3h)-quinazolinone, 3-ethyl-2-((2-pyridinylmethyl)thio)-

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=N3
InChI
InChI=1S/C16H15N3OS/c1-2-19-15(20)13-8-3-4-9-14(13)18-16(19)21-11-12-7-5-6-10-17-12/h3-10H,2,11H2,1H3
InChIKey
LMXHUYPAZFRENX-UHFFFAOYSA-N
Compound name
3-ethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

297.0936 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 166.9
[M+Na]+ 320.08282 184.0
[M+NH4]+ 315.12742 175.5
[M+K]+ 336.05676 172.8
[M-H]- 296.08632 171.3
[M+Na-2H]- 318.06827 176.2
[M]+ 297.09305 171.3
[M]- 297.09415 171.3
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