CID 4962768

4-(2-methoxyethyl)-1,5-dioxo-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinazoline-3a-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O5
SMILES
COCCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)O
InChI
InChI=1S/C15H16N2O5/c1-22-9-8-16-13(19)10-4-2-3-5-11(10)17-12(18)6-7-15(16,17)14(20)21/h2-5H,6-9H2,1H3,(H,20,21)
InChIKey
ARJDRISVIVWBQI-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)-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

304.10593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11321 166.9
[M+Na]+ 327.09515 175.4
[M-H]- 303.09865 168.2
[M+NH4]+ 322.13975 184.3
[M+K]+ 343.06909 172.0
[M+H-H2O]+ 287.10319 160.1
[M+HCOO]- 349.10413 181.7
[M+CH3COO]- 363.11978 201.8
[M+Na-2H]- 325.08060 169.8
[M]+ 304.10538 168.5
[M]- 304.10648 168.5
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.