CID 64047

Brn 5348893

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CCC1=NC2=C(C=CC(=C2)C)C(=O)N1C3=CC(=NO3)C
InChI
InChI=1S/C15H15N3O2/c1-4-13-16-12-7-9(2)5-6-11(12)15(19)18(13)14-8-10(3)17-20-14/h5-8H,4H2,1-3H3
InChIKey
OXGKZBKNBSOLNV-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-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

269.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 161.5
[M+Na]+ 292.105638 175.0
[M-H]- 268.109144 167.6
[M+NH4]+ 287.150243 176.3
[M+K]+ 308.079578 170.9
[M+H-H2O]+ 252.113680 152.7
[M+HCOO]- 314.114621 183.0
[M+CH3COO]- 328.130271 175.0
[M+Na-2H]- 290.091086 166.7
[M]+ 269.11587142 168.1
[M]- 269.11696858 168.1
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.