CID 21102217

773887-34-6

Structural Information

Molecular Formula
C13H16FN3O
SMILES
C1CNCCC1N2CC3=C(C(=CC=C3)F)NC2=O
InChI
InChI=1S/C13H16FN3O/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10/h1-3,10,15H,4-8H2,(H,16,18)
InChIKey
WLGORDHNIRNGRX-UHFFFAOYSA-N
Compound name
8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

249.12775 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13503 159.0
[M+Na]+ 272.11697 164.6
[M-H]- 248.12047 157.3
[M+NH4]+ 267.16157 171.3
[M+K]+ 288.09091 158.2
[M+H-H2O]+ 232.12501 148.7
[M+HCOO]- 294.12595 168.4
[M+CH3COO]- 308.14160 167.1
[M+Na-2H]- 270.10242 161.7
[M]+ 249.12720 148.0
[M]- 249.12830 148.0
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

patents stripe