CID 2117530

3-amino-7-chloro-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1N
InChI
InChI=1S/C9H8ClN3O/c1-5-12-8-4-6(10)2-3-7(8)9(14)13(5)11/h2-4H,11H2,1H3
InChIKey
GINCQOASZXXVEB-UHFFFAOYSA-N
Compound name
3-amino-7-chloro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.03558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.042856 141.0
[M+Na]+ 232.024798 153.8
[M-H]- 208.028304 143.4
[M+NH4]+ 227.069403 159.5
[M+K]+ 247.998738 148.5
[M+H-H2O]+ 192.032840 134.6
[M+HCOO]- 254.033781 158.9
[M+CH3COO]- 268.049431 154.7
[M+Na-2H]- 230.010246 148.4
[M]+ 209.03503142 143.3
[M]- 209.03612858 143.3
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