CID 38441

Rabenzazole

Structural Information

Molecular Formula
C12H12N4
SMILES
CC1=CC(=NN1C2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14)
InChIKey
RUGYNGIMTAFTLP-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4608
Patents

212.1062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11348 146.0
[M+Na]+ 235.09542 160.9
[M+NH4]+ 230.14002 154.0
[M+K]+ 251.06936 157.7
[M-H]- 211.09892 148.0
[M+Na-2H]- 233.08087 153.7
[M]+ 212.10565 148.7
[M]- 212.10675 148.7
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