CID 400916

2,3-dihydro-1h-benzo[d]imidazo[1,2-a]imidazole

Structural Information

Molecular Formula
C9H9N3
SMILES
C1CN2C3=CC=CC=C3N=C2N1
InChI
InChI=1S/C9H9N3/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9/h1-4H,5-6H2,(H,10,11)
InChIKey
DSOYHAWYIJNVGK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

97
Patents

159.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 130.8
[M+Na]+ 182.06887 141.6
[M-H]- 158.07237 131.7
[M+NH4]+ 177.11347 152.8
[M+K]+ 198.04281 137.6
[M+H-H2O]+ 142.07691 123.6
[M+HCOO]- 204.07785 151.4
[M+CH3COO]- 218.09350 144.5
[M+Na-2H]- 180.05432 138.1
[M]+ 159.07910 130.2
[M]- 159.08020 130.2
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