CID 513119

3-phenacyl-10h-pyrimido[1,2-a]benzimidazol-4-one

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1=CC=C(C=C1)C(=O)CC2=CN=C3NC4=CC=CC=C4N3C2=O
InChI
InChI=1S/C18H13N3O2/c22-16(12-6-2-1-3-7-12)10-13-11-19-18-20-14-8-4-5-9-15(14)21(18)17(13)23/h1-9,11H,10H2,(H,19,20)
InChIKey
NMYCSBGPXBXNQC-UHFFFAOYSA-N
Compound name
3-phenacyl-10H-pyrimido[1,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 169.2
[M+Na]+ 326.08999 179.9
[M-H]- 302.09349 173.4
[M+NH4]+ 321.13459 182.9
[M+K]+ 342.06393 172.7
[M+H-H2O]+ 286.09803 159.5
[M+HCOO]- 348.09897 188.0
[M+CH3COO]- 362.11462 180.3
[M+Na-2H]- 324.07544 175.3
[M]+ 303.10022 170.9
[M]- 303.10132 170.9
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.