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
2
Annotation Hits

1
References

5112
Patents

212.1062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 146.6
[M+Na]+ 235.095418 158.8
[M-H]- 211.098924 149.3
[M+NH4]+ 230.140023 164.4
[M+K]+ 251.069358 153.6
[M+H-H2O]+ 195.103460 138.1
[M+HCOO]- 257.104401 167.7
[M+CH3COO]- 271.120051 159.8
[M+Na-2H]- 233.080866 151.1
[M]+ 212.10565142 148.4
[M]- 212.10674858 148.4
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