CID 16226715

872319-68-1

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C=CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)O
InChI
InChI=1S/C15H14N2O4/c1-2-9-16-13(19)10-5-3-4-6-11(10)17-12(18)7-8-15(16,17)14(20)21/h2-6H,1,7-9H2,(H,20,21)
InChIKey
SRTPTDVXYBPLOX-UHFFFAOYSA-N
Compound name
1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 165.5
[M+Na]+ 309.08459 175.8
[M+NH4]+ 304.12919 172.7
[M+K]+ 325.05853 170.7
[M-H]- 285.08809 164.3
[M+Na-2H]- 307.07004 167.5
[M]+ 286.09482 166.3
[M]- 286.09592 166.3
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

No patent data available for this compound.