CID 2394026

55762-24-8

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2C1

InChI

InChI=1S/C12H10N2O3/c15-11-8-4-3-7(12(16)17)6-9(8)13-10-2-1-5-14(10)11/h3-4,6H,1-2,5H2,(H,16,17)

InChIKey

OAPMUFFGYRXTNL-UHFFFAOYSA-N

Compound name

9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 230.06914 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.07642	148.2
[M+Na]+	253.05836	161.0
[M+NH4]+	248.10296	155.8
[M+K]+	269.03230	157.3
[M-H]-	229.06186	148.5
[M+Na-2H]-	251.04381	152.1
[M]+	230.06859	149.8
[M]-	230.06969	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe