CID 5272008

Chembl68789

Structural Information

Molecular Formula
C19H19N5
SMILES
CC(=CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3)C
InChI
InChI=1S/C19H19N5/c1-14(2)11-12-23-17-9-5-3-7-15(17)20-19(23)13-24-18-10-6-4-8-16(18)21-22-24/h3-11H,12-13H2,1-2H3
InChIKey
XZHMDEAMDADYTI-UHFFFAOYSA-N
Compound name
1-[[1-(3-methylbut-2-enyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

317.16403 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 177.9
[M+Na]+ 340.15325 189.6
[M-H]- 316.15675 181.3
[M+NH4]+ 335.19785 191.3
[M+K]+ 356.12719 182.1
[M+H-H2O]+ 300.16129 167.1
[M+HCOO]- 362.16223 196.8
[M+CH3COO]- 376.17788 188.7
[M+Na-2H]- 338.13870 181.0
[M]+ 317.16348 182.9
[M]- 317.16458 182.9
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