CID 203538

Diacetamide, n-(4-oxo-3h-quinazolinyl)-

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC(=O)N(C(=O)C)N1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11N3O3/c1-8(16)15(9(2)17)14-7-13-11-6-4-3-5-10(11)12(14)18/h3-7H,1-2H3
InChIKey
PCOIURJHMXZKLU-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.087326 150.8
[M+Na]+ 268.069268 159.7
[M-H]- 244.072774 154.6
[M+NH4]+ 263.113873 166.9
[M+K]+ 284.043208 158.2
[M+H-H2O]+ 228.077310 142.6
[M+HCOO]- 290.078251 172.4
[M+CH3COO]- 304.093901 198.1
[M+Na-2H]- 266.054716 156.9
[M]+ 245.07950142 153.8
[M]- 245.08059858 153.8
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.