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

17
Patents

195.01994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 136.3
[M+Na]+ 218.00916 148.3
[M-H]- 194.01266 137.2
[M+NH4]+ 213.05376 154.4
[M+K]+ 233.98310 142.3
[M+H-H2O]+ 178.01720 130.3
[M+HCOO]- 240.01814 153.2
[M+CH3COO]- 254.03379 149.5
[M+Na-2H]- 215.99461 144.6
[M]+ 195.01939 136.1
[M]- 195.02049 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