CID 10171351

4-(1h-1,3-benzodiazol-2-yl)-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H11N5
SMILES
CN1C(=C(C=N1)C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C11H11N5/c1-16-10(12)7(6-13-16)11-14-8-4-2-3-5-9(8)15-11/h2-6H,12H2,1H3,(H,14,15)
InChIKey
UOKZBKZOSOVCSP-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.10144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.108716 145.3
[M+Na]+ 236.090658 157.1
[M-H]- 212.094164 147.8
[M+NH4]+ 231.135263 162.5
[M+K]+ 252.064598 151.7
[M+H-H2O]+ 196.098700 136.7
[M+HCOO]- 258.099641 167.3
[M+CH3COO]- 272.115291 158.2
[M+Na-2H]- 234.076106 150.2
[M]+ 213.10089142 145.2
[M]- 213.10198858 145.2
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