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]+ 304.108046 169.2
[M+Na]+ 326.089988 179.9
[M-H]- 302.093494 173.4
[M+NH4]+ 321.134593 182.9
[M+K]+ 342.063928 172.7
[M+H-H2O]+ 286.098030 159.5
[M+HCOO]- 348.098971 188.0
[M+CH3COO]- 362.114621 180.3
[M+Na-2H]- 324.075436 175.3
[M]+ 303.10022142 170.9
[M]- 303.10131858 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.