CID 15207038

3-acetylamino-2-isopropyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC(C)C1=NC2=CC=CC=C2C(=O)N1NC(=O)C
InChI
InChI=1S/C13H15N3O2/c1-8(2)12-14-11-7-5-4-6-10(11)13(18)16(12)15-9(3)17/h4-8H,1-3H3,(H,15,17)
InChIKey
IABUZCGOUHAHQF-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 154.6
[M+Na]+ 268.10564 163.6
[M-H]- 244.10914 157.0
[M+NH4]+ 263.15024 170.5
[M+K]+ 284.07958 160.5
[M+H-H2O]+ 228.11368 146.7
[M+HCOO]- 290.11462 174.9
[M+CH3COO]- 304.13027 198.2
[M+Na-2H]- 266.09109 159.9
[M]+ 245.11587 156.4
[M]- 245.11697 156.4
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.