CID 3043465

Jlb-mp

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C=CC=CC2C1C2N3C(=O)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C16H14N2O2/c19-15-12-8-4-5-9-13(12)17-16(20)18(15)14-10-6-2-1-3-7-11(10)14/h1-6,8-11,14H,7H2,(H,17,20)
InChIKey
VUJRMFIZCYGLQX-UHFFFAOYSA-N
Compound name
3-(8-bicyclo[5.1.0]octa-2,4-dienyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 161.4
[M+Na]+ 289.09475 176.5
[M+NH4]+ 284.13935 169.5
[M+K]+ 305.06869 171.3
[M-H]- 265.09825 170.7
[M+Na-2H]- 287.08020 170.3
[M]+ 266.10498 167.4
[M]- 266.10608 167.4
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.