CID 5272026

Chembl307992

Structural Information

Molecular Formula
C22H17N5O
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C22H17N5O/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/h1-13H,14-15H2
InChIKey
ULGBLUCQWPWEQH-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

367.1433 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15058 187.1
[M+Na]+ 390.13252 198.1
[M-H]- 366.13602 193.6
[M+NH4]+ 385.17712 197.4
[M+K]+ 406.10646 190.0
[M+H-H2O]+ 350.14056 175.0
[M+HCOO]- 412.14150 206.0
[M+CH3COO]- 426.15715 197.1
[M+Na-2H]- 388.11797 190.8
[M]+ 367.14275 191.6
[M]- 367.14385 191.6
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