CID 5272027

Chembl67152

Structural Information

Molecular Formula
C22H19N5O
SMILES
C1=CC=C(C=C1)C(CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4)O
InChI
InChI=1S/C22H19N5O/c28-21(16-8-2-1-3-9-16)14-26-19-12-6-4-10-17(19)23-22(26)15-27-20-13-7-5-11-18(20)24-25-27/h1-13,21,28H,14-15H2
InChIKey
NCXSSYVYXNVLIX-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

369.15897 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16625 186.6
[M+Na]+ 392.14819 196.9
[M-H]- 368.15169 192.0
[M+NH4]+ 387.19279 196.4
[M+K]+ 408.12213 188.7
[M+H-H2O]+ 352.15623 175.0
[M+HCOO]- 414.15717 204.1
[M+CH3COO]- 428.17282 196.1
[M+Na-2H]- 390.13364 190.3
[M]+ 369.15842 190.2
[M]- 369.15952 190.2
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