CID 3774714

568558-23-6

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C16H14N2OS/c1-11(12-7-3-2-4-8-12)18-15(19)13-9-5-6-10-14(13)17-16(18)20/h2-11H,1H3,(H,17,20)
InChIKey
DWHNTCIHPKYFIN-UHFFFAOYSA-N
Compound name
3-(1-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08267 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 161.7
[M+Na]+ 305.07189 178.2
[M+NH4]+ 300.11649 170.4
[M+K]+ 321.04583 167.8
[M-H]- 281.07539 166.0
[M+Na-2H]- 303.05734 170.6
[M]+ 282.08212 165.9
[M]- 282.08322 165.9
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.