CID 69130649

8-fluoro-2-methylquinazolin-4-amine

Structural Information

Molecular Formula
C9H8FN3
SMILES
CC1=NC2=C(C=CC=C2F)C(=N1)N
InChI
InChI=1S/C9H8FN3/c1-5-12-8-6(9(11)13-5)3-2-4-7(8)10/h2-4H,1H3,(H2,11,12,13)
InChIKey
MFJBYNMXHFSXRV-UHFFFAOYSA-N
Compound name
8-fluoro-2-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.07022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07750 135.0
[M+Na]+ 200.05944 146.1
[M-H]- 176.06294 135.9
[M+NH4]+ 195.10404 153.7
[M+K]+ 216.03338 142.0
[M+H-H2O]+ 160.06748 126.9
[M+HCOO]- 222.06842 156.2
[M+CH3COO]- 236.08407 148.3
[M+Na-2H]- 198.04489 143.1
[M]+ 177.06967 133.1
[M]- 177.07077 133.1
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