CID 135413123

4(3h)-quinazolinone, 2-morpholino-

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1COCCN1C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,13,14,16)
InChIKey
ZMYICHDMZXHSOL-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

231.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 151.1
[M+Na]+ 254.08999 158.7
[M-H]- 230.09349 153.3
[M+NH4]+ 249.13459 163.4
[M+K]+ 270.06393 154.9
[M+H-H2O]+ 214.09803 141.2
[M+HCOO]- 276.09897 165.6
[M+CH3COO]- 290.11462 161.6
[M+Na-2H]- 252.07544 158.8
[M]+ 231.10022 147.0
[M]- 231.10132 147.0
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