CID 5272036

Chembl303912

Structural Information

Molecular Formula
C18H19N5
SMILES
CC(C)CN1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C18H19N5/c1-13(2)11-22-17-10-6-5-9-16(17)19-18(22)12-23-20-14-7-3-4-8-15(14)21-23/h3-10,13H,11-12H2,1-2H3
InChIKey
VRAACFYRAWDBRE-UHFFFAOYSA-N
Compound name
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.16403 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17131 173.6
[M+Na]+ 328.15325 185.4
[M-H]- 304.15675 177.2
[M+NH4]+ 323.19785 187.6
[M+K]+ 344.12719 178.8
[M+H-H2O]+ 288.16129 163.0
[M+HCOO]- 350.16223 192.7
[M+CH3COO]- 364.17788 184.8
[M+Na-2H]- 326.13870 177.4
[M]+ 305.16348 179.1
[M]- 305.16458 179.1
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

No patent data available for this compound.