CID 4344644

20297-19-2

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCCN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C11H12N2O2/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-6H,2,7H2,1H3,(H,12,15)
InChIKey
CUFPYJFLBNZMOA-UHFFFAOYSA-N
Compound name
3-propyl-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

20
Patents

204.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.0
[M+Na]+ 227.07909 152.9
[M-H]- 203.08259 143.2
[M+NH4]+ 222.12369 159.3
[M+K]+ 243.05303 148.3
[M+H-H2O]+ 187.08713 134.8
[M+HCOO]- 249.08807 162.4
[M+CH3COO]- 263.10372 183.6
[M+Na-2H]- 225.06454 149.7
[M]+ 204.08932 143.2
[M]- 204.09042 143.2
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

No patent data available for this compound.