CID 63301

86134-18-1

Structural Information

Molecular Formula
C12H9N3O2
SMILES
CC1=NOC(=C1)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H9N3O2/c1-8-6-11(17-14-8)15-7-13-10-5-3-2-4-9(10)12(15)16/h2-7H,1H3
InChIKey
LTRHQEBFWROVEA-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 146.5
[M+Na]+ 250.058688 159.6
[M-H]- 226.062194 152.3
[M+NH4]+ 245.103293 162.5
[M+K]+ 266.032628 156.2
[M+H-H2O]+ 210.066730 137.8
[M+HCOO]- 272.067671 169.2
[M+CH3COO]- 286.083321 160.7
[M+Na-2H]- 248.044136 155.0
[M]+ 227.06892142 151.3
[M]- 227.07001858 151.3
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.