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]+ 210.04286 141.0
[M+Na]+ 232.02480 153.8
[M-H]- 208.02830 143.4
[M+NH4]+ 227.06940 159.5
[M+K]+ 247.99874 148.5
[M+H-H2O]+ 192.03284 134.6
[M+HCOO]- 254.03378 158.9
[M+CH3COO]- 268.04943 154.7
[M+Na-2H]- 230.01025 148.4
[M]+ 209.03503 143.3
[M]- 209.03613 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