CID 4129100

109722-50-1

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1C(=NC2=NC3=CC=CC=C3N2C1=O)C4=CC=CC=C4
InChI
InChI=1S/C16H11N3O/c20-15-10-13(11-6-2-1-3-7-11)18-16-17-12-8-4-5-9-14(12)19(15)16/h1-9H,10H2
InChIKey
XJEYTOUHAUHFKJ-UHFFFAOYSA-N
Compound name
2-phenyl-3H-pyrimido[1,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 158.4
[M+Na]+ 284.07942 169.9
[M-H]- 260.08292 163.7
[M+NH4]+ 279.12402 174.8
[M+K]+ 300.05336 163.4
[M+H-H2O]+ 244.08746 148.6
[M+HCOO]- 306.08840 178.7
[M+CH3COO]- 320.10405 170.8
[M+Na-2H]- 282.06487 166.0
[M]+ 261.08965 159.7
[M]- 261.09075 159.7
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.