CID 5272025

Chembl69821

Structural Information

Molecular Formula
C22H19N5
SMILES
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C22H19N5/c1-2-8-17(9-3-1)14-15-26-20-12-6-4-10-18(20)23-22(26)16-27-21-13-7-5-11-19(21)24-25-27/h1-13H,14-16H2
InChIKey
GMEXLGHMJJZWNN-UHFFFAOYSA-N
Compound name
1-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

353.16403 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17131 184.6
[M+Na]+ 376.15325 196.0
[M-H]- 352.15675 190.9
[M+NH4]+ 371.19785 195.9
[M+K]+ 392.12719 187.2
[M+H-H2O]+ 336.16129 172.3
[M+HCOO]- 398.16223 204.2
[M+CH3COO]- 412.17788 194.9
[M+Na-2H]- 374.13870 189.2
[M]+ 353.16348 189.0
[M]- 353.16458 189.0
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