CID 136013872

7-amino-6-chloro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=C2C(=CC(=C1Cl)N)N=CNC2=O
InChI
InChI=1S/C8H6ClN3O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,10H2,(H,11,12,13)
InChIKey
HWBWNWYRTQNIAK-UHFFFAOYSA-N
Compound name
7-amino-6-chloro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.01994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 136.3
[M+Na]+ 218.009158 148.3
[M-H]- 194.012664 137.2
[M+NH4]+ 213.053763 154.4
[M+K]+ 233.983098 142.3
[M+H-H2O]+ 178.017200 130.3
[M+HCOO]- 240.018141 153.2
[M+CH3COO]- 254.033791 149.5
[M+Na-2H]- 215.994606 144.6
[M]+ 195.01939142 136.1
[M]- 195.02048858 136.1
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