CID 135442234

4(3h)-quinazolinone, 6-chloro-2-(methylthio)-

Structural Information

Molecular Formula
C9H7ClN2OS
SMILES
CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1
InChI
InChI=1S/C9H7ClN2OS/c1-14-9-11-7-3-2-5(10)4-6(7)8(13)12-9/h2-4H,1H3,(H,11,12,13)
InChIKey
WBHDGAJKTITYKJ-UHFFFAOYSA-N
Compound name
6-chloro-2-methylsulfanyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.99677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00405 141.0
[M+Na]+ 248.98599 153.4
[M-H]- 224.98949 142.5
[M+NH4]+ 244.03059 159.1
[M+K]+ 264.95993 147.0
[M+H-H2O]+ 208.99403 135.5
[M+HCOO]- 270.99497 152.0
[M+CH3COO]- 285.01062 154.0
[M+Na-2H]- 246.97144 146.4
[M]+ 225.99622 144.9
[M]- 225.99732 144.9
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