CID 63842

73832-14-1

Structural Information

Molecular Formula
C16H14FN3O2
SMILES
CC1=C(C=CC=C1O)N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
InChI
InChI=1S/C16H14FN3O2/c1-9-13(3-2-4-14(9)21)20-15(8-17)19-12-6-5-10(18)7-11(12)16(20)22/h2-7,21H,8,18H2,1H3
InChIKey
ZOZDWIPHXCHFLG-UHFFFAOYSA-N
Compound name
6-amino-2-(fluoromethyl)-3-(3-hydroxy-2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11428 169.5
[M+Na]+ 322.09622 181.0
[M-H]- 298.09972 172.7
[M+NH4]+ 317.14082 182.5
[M+K]+ 338.07016 174.4
[M+H-H2O]+ 282.10426 159.6
[M+HCOO]- 344.10520 188.4
[M+CH3COO]- 358.12085 180.6
[M+Na-2H]- 320.08167 173.5
[M]+ 299.10645 169.0
[M]- 299.10755 169.0
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

No patent data available for this compound.