CID 607558

2,4-dimethylpyrimido[1,2-a]benzimidazole

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=CC(=NC2=NC3=CC=CC=C3N12)C
InChI
InChI=1S/C12H11N3/c1-8-7-9(2)15-11-6-4-3-5-10(11)14-12(15)13-8/h3-7H,1-2H3
InChIKey
XYOLQZGYDSWZLS-UHFFFAOYSA-N
Compound name
2,4-dimethylpyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

197.09529 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 142.3
[M+Na]+ 220.084508 155.2
[M-H]- 196.088014 144.9
[M+NH4]+ 215.129113 162.3
[M+K]+ 236.058448 150.3
[M+H-H2O]+ 180.092550 134.3
[M+HCOO]- 242.093491 163.8
[M+CH3COO]- 256.109141 156.3
[M+Na-2H]- 218.069956 150.9
[M]+ 197.09474142 145.7
[M]- 197.09583858 145.7
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

patents stripe