CID 730892

3-amino-6-fluoro-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C9H8FN3O
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1N
InChI
InChI=1S/C9H8FN3O/c1-5-12-8-3-2-6(10)4-7(8)9(14)13(5)11/h2-4H,11H2,1H3
InChIKey
VDDWAGDCXKFEOR-UHFFFAOYSA-N
Compound name
3-amino-6-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.06514 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.072416 137.8
[M+Na]+ 216.054358 150.0
[M-H]- 192.057864 139.1
[M+NH4]+ 211.098963 156.0
[M+K]+ 232.028298 145.8
[M+H-H2O]+ 176.062400 129.8
[M+HCOO]- 238.063341 159.3
[M+CH3COO]- 252.078991 187.0
[M+Na-2H]- 214.039806 145.1
[M]+ 193.06459142 137.0
[M]- 193.06568858 137.0
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