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]+ 284.11938 164.1
[M+Na]+ 306.10132 174.4
[M-H]- 282.10482 168.3
[M+NH4]+ 301.14592 178.1
[M+K]+ 322.07526 168.1
[M+H-H2O]+ 266.10936 153.5
[M+HCOO]- 328.11030 185.1
[M+CH3COO]- 342.12595 175.6
[M+Na-2H]- 304.08677 171.1
[M]+ 283.11155 164.1
[M]- 283.11265 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