CID 2772368

299442-43-6

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1C(CC(=O)C2=CN=C(N=C21)N)C3=CC=CO3
InChI
InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChIKey
SOJUSNIBPPMLCC-UHFFFAOYSA-N
Compound name
2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

54
Patents

229.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.4
[M+Na]+ 252.07435 162.5
[M+NH4]+ 247.11895 157.4
[M+K]+ 268.04829 158.4
[M-H]- 228.07785 154.0
[M+Na-2H]- 250.05980 155.4
[M]+ 229.08458 152.4
[M]- 229.08568 152.4
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

patents stripe