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]+ 287.102646 163.4
[M+Na]+ 309.084588 172.4
[M-H]- 285.088094 164.8
[M+NH4]+ 304.129193 181.5
[M+K]+ 325.058528 167.8
[M+H-H2O]+ 269.092630 156.8
[M+HCOO]- 331.093571 178.2
[M+CH3COO]- 345.109221 198.8
[M+Na-2H]- 307.070036 166.0
[M]+ 286.09482142 162.8
[M]- 286.09591858 162.8
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.