CID 136141557

2-(6-fluoro-3,4-dihydro-2h-1-benzopyran-3-yl)-6-(1h-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C20H15FN4O2
SMILES
C1C(COC2=C1C=C(C=C2)F)C3=NC4=C(C=C(C=C4)C5=CNN=C5)C(=O)N3
InChI
InChI=1S/C20H15FN4O2/c21-15-2-4-18-12(6-15)5-13(10-27-18)19-24-17-3-1-11(14-8-22-23-9-14)7-16(17)20(26)25-19/h1-4,6-9,13H,5,10H2,(H,22,23)(H,24,25,26)
InChIKey
XDELXZOHBBBNOX-UHFFFAOYSA-N
Compound name
2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

362.1179 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12518 186.3
[M+Na]+ 385.10712 203.0
[M+NH4]+ 380.15172 192.7
[M+K]+ 401.08106 196.8
[M-H]- 361.11062 190.7
[M+Na-2H]- 383.09257 193.2
[M]+ 362.11735 189.9
[M]- 362.11845 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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