CID 16226729

868238-09-9

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)O
InChI
InChI=1S/C14H14N2O4/c1-2-15-12(18)9-5-3-4-6-10(9)16-11(17)7-8-14(15,16)13(19)20/h3-6H,2,7-8H2,1H3,(H,19,20)
InChIKey
HXZUMCQWWOGJBT-UHFFFAOYSA-N
Compound name
4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 161.9
[M+Na]+ 297.08459 172.4
[M+NH4]+ 292.12919 169.6
[M+K]+ 313.05853 167.5
[M-H]- 273.08809 161.0
[M+Na-2H]- 295.07004 164.3
[M]+ 274.09482 162.9
[M]- 274.09592 162.9
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.