CID 577253

3-amino-2-ethylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C10H11N3O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1N
InChI
InChI=1S/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3
InChIKey
VAXBRNDGRQUZHY-UHFFFAOYSA-N
Compound name
3-amino-2-ethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

189.09021 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.3
[M+Na]+ 212.079428 150.1
[M-H]- 188.082934 141.5
[M+NH4]+ 207.124033 157.5
[M+K]+ 228.053368 146.2
[M+H-H2O]+ 172.087470 131.9
[M+HCOO]- 234.088411 161.6
[M+CH3COO]- 248.104061 186.1
[M+Na-2H]- 210.064876 147.5
[M]+ 189.08966142 139.6
[M]- 189.09075858 139.6
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