CID 130116563

2,4-dichloro-6,7-dihydroquinazolin-8(5h)-one

Structural Information

Molecular Formula
C8H6Cl2N2O
SMILES
C1CC2=C(C(=O)C1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H6Cl2N2O/c9-7-4-2-1-3-5(13)6(4)11-8(10)12-7/h1-3H2
InChIKey
COVOQJOFHIWADC-UHFFFAOYSA-N
Compound name
2,4-dichloro-6,7-dihydro-5H-quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.98572 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99300 139.1
[M+Na]+ 238.97494 150.4
[M-H]- 214.97844 140.3
[M+NH4]+ 234.01954 157.7
[M+K]+ 254.94888 145.1
[M+H-H2O]+ 198.98298 133.2
[M+HCOO]- 260.98392 148.9
[M+CH3COO]- 274.99957 151.8
[M+Na-2H]- 236.96039 145.6
[M]+ 215.98517 140.3
[M]- 215.98627 140.3
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