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

90
Patents

159.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 130.8
[M+Na]+ 182.068868 141.6
[M-H]- 158.072374 131.7
[M+NH4]+ 177.113473 152.8
[M+K]+ 198.042808 137.6
[M+H-H2O]+ 142.076910 123.6
[M+HCOO]- 204.077851 151.4
[M+CH3COO]- 218.093501 144.5
[M+Na-2H]- 180.054316 138.1
[M]+ 159.07910142 130.2
[M]- 159.08019858 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