CID 63277

Brn 0832155

Structural Information

Molecular Formula
C16H14FN3O2
SMILES
C1=CC=C(C(=C1)CO)N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
InChI
InChI=1S/C16H14FN3O2/c17-8-15-19-13-6-5-11(18)7-12(13)16(22)20(15)14-4-2-1-3-10(14)9-21/h1-7,21H,8-9,18H2
InChIKey
HYUGVWIOGNFIDX-UHFFFAOYSA-N
Compound name
6-amino-2-(fluoromethyl)-3-[2-(hydroxymethyl)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.107 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11428 168.6
[M+Na]+ 322.09622 179.3
[M-H]- 298.09972 171.4
[M+NH4]+ 317.14082 181.3
[M+K]+ 338.07016 172.6
[M+H-H2O]+ 282.10426 158.5
[M+HCOO]- 344.10520 187.7
[M+CH3COO]- 358.12085 179.4
[M+Na-2H]- 320.08167 173.5
[M]+ 299.10645 167.7
[M]- 299.10755 167.7
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

No patent data available for this compound.