CID 4090784

1-(4-fluorobenzyl)-2-(methylamino)quinazolin-4(1h)-one

Structural Information

Molecular Formula
C16H14FN3O
SMILES
CNC1=NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O/c1-18-16-19-15(21)13-4-2-3-5-14(13)20(16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19,21)
InChIKey
CZXKDQBTLOMDAN-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-2-(methylamino)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.1121 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.119376 164.1
[M+Na]+ 306.101318 174.4
[M-H]- 282.104824 168.3
[M+NH4]+ 301.145923 178.1
[M+K]+ 322.075258 168.1
[M+H-H2O]+ 266.109360 153.5
[M+HCOO]- 328.110301 185.1
[M+CH3COO]- 342.125951 175.6
[M+Na-2H]- 304.086766 171.1
[M]+ 283.11155142 164.1
[M]- 283.11264858 164.1
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