CID 246265

3-butyl-2-hydroxyquinazolin-4(3h)-one

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCCCN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H14N2O2/c1-2-3-8-14-11(15)9-6-4-5-7-10(9)13-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,16)
InChIKey
DSSUNKPFKROAGO-UHFFFAOYSA-N
Compound name
3-butyl-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

218.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 146.6
[M+Na]+ 241.09475 157.0
[M-H]- 217.09825 147.6
[M+NH4]+ 236.13935 163.3
[M+K]+ 257.06869 152.2
[M+H-H2O]+ 201.10279 139.2
[M+HCOO]- 263.10373 166.6
[M+CH3COO]- 277.11938 186.6
[M+Na-2H]- 239.08020 153.8
[M]+ 218.10498 148.1
[M]- 218.10608 148.1
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