CID 2803168

3,4-dihydropyrimido[2,1-a]isoindol-6(2h)-one

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

0
Patents

186.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.1
[M+Na]+ 209.06854 147.5
[M-H]- 185.07204 140.8
[M+NH4]+ 204.11314 159.1
[M+K]+ 225.04248 143.6
[M+H-H2O]+ 169.07658 130.7
[M+HCOO]- 231.07752 157.4
[M+CH3COO]- 245.09317 151.2
[M+Na-2H]- 207.05399 145.1
[M]+ 186.07877 136.6
[M]- 186.07987 136.6
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

patents stripe