CID 2803168

22641-00-5

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1CN=C2C3=CC=CC=C3C(=O)N2C1

InChI

InChI=1S/C11H10N2O/c14-11-9-5-2-1-4-8(9)10-12-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2

InChIKey

FBGOGHDRVWRWSS-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 186.07932 Da
Monoisotopic Mass: 0.9
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]+	187.08660	139.0
[M+Na]+	209.06854	152.7
[M+NH4]+	204.11314	148.7
[M+K]+	225.04248	147.0
[M-H]-	185.07204	141.1
[M+Na-2H]-	207.05399	144.6
[M]+	186.07877	141.5
[M]-	186.07987	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe