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 163.4
[M+Na]+ 309.08459 172.4
[M-H]- 285.08809 164.8
[M+NH4]+ 304.12919 181.5
[M+K]+ 325.05853 167.8
[M+H-H2O]+ 269.09263 156.8
[M+HCOO]- 331.09357 178.2
[M+CH3COO]- 345.10922 198.8
[M+Na-2H]- 307.07004 166.0
[M]+ 286.09482 162.8
[M]- 286.09592 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.