CID 373875

2-(4,5-dihydro-1h-imidazol-2-yl)-1h-benzimidazole

Structural Information

Molecular Formula
C10H10N4
SMILES
C1CN=C(N1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C10H10N4/c1-2-4-8-7(3-1)13-10(14-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
NMQLWFUDBDWZDY-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09783 138.1
[M+Na]+ 209.07977 147.9
[M-H]- 185.08327 138.6
[M+NH4]+ 204.12437 155.5
[M+K]+ 225.05371 142.6
[M+H-H2O]+ 169.08781 129.4
[M+HCOO]- 231.08875 157.0
[M+CH3COO]- 245.10440 150.2
[M+Na-2H]- 207.06522 143.7
[M]+ 186.09000 135.2
[M]- 186.09110 135.2
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