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 160.1
[M+Na]+ 297.08459 169.3
[M-H]- 273.08809 161.6
[M+NH4]+ 292.12919 178.8
[M+K]+ 313.05853 165.4
[M+H-H2O]+ 257.09263 153.6
[M+HCOO]- 319.09357 175.1
[M+CH3COO]- 333.10922 196.5
[M+Na-2H]- 295.07004 163.2
[M]+ 274.09482 159.9
[M]- 274.09592 159.9
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.