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 167.1
[M+Na]+ 320.08282 177.8
[M-H]- 296.08632 171.0
[M+NH4]+ 315.12742 180.1
[M+K]+ 336.05676 170.9
[M+H-H2O]+ 280.09086 157.6
[M+HCOO]- 342.09180 182.0
[M+CH3COO]- 356.10745 178.2
[M+Na-2H]- 318.06827 172.2
[M]+ 297.09305 171.0
[M]- 297.09415 171.0
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