CID 215386

35629-65-3

Structural Information

Molecular Formula
C15H9N3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=O)N=C4N(C3=O)C=CO4
InChI
InChI=1S/C15H9N3O3/c19-13-16-14-17(8-9-21-14)15(20)18(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKey
WVFLWCBWFAAFPW-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0644 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07168 159.5
[M+Na]+ 302.05362 173.5
[M-H]- 278.05712 166.5
[M+NH4]+ 297.09822 174.1
[M+K]+ 318.02756 168.8
[M+H-H2O]+ 262.06166 150.1
[M+HCOO]- 324.06260 181.0
[M+CH3COO]- 338.07825 173.0
[M+Na-2H]- 300.03907 168.2
[M]+ 279.06385 165.0
[M]- 279.06495 165.0
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.