CID 381650

1-(2-imidazol-1-ylethyl)benzimidazole

Structural Information

Molecular Formula
C12H12N4
SMILES
C1=CC=C2C(=C1)N=CN2CCN3C=CN=C3
InChI
InChI=1S/C12H12N4/c1-2-4-12-11(3-1)14-10-16(12)8-7-15-6-5-13-9-15/h1-6,9-10H,7-8H2
InChIKey
SQHLVTLZGNYQEK-UHFFFAOYSA-N
Compound name
1-(2-imidazol-1-ylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.1062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11348 145.0
[M+Na]+ 235.09542 155.7
[M-H]- 211.09892 148.1
[M+NH4]+ 230.14002 162.8
[M+K]+ 251.06936 151.5
[M+H-H2O]+ 195.10346 135.4
[M+HCOO]- 257.10440 167.5
[M+CH3COO]- 271.12005 158.1
[M+Na-2H]- 233.08087 151.3
[M]+ 212.10565 147.7
[M]- 212.10675 147.7
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

patents stripe