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

literature stripe

Patent stripe

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