CID 5271997

Chembl305053

Structural Information

Molecular Formula
C21H24N6
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C21H24N6/c1-6-12-25(13-7-1)14-15-26-19-10-4-2-8-17(19)22-21(26)16-27-20-11-5-3-9-18(20)23-24-27/h2-5,8-11H,1,6-7,12-16H2
InChIKey
YUTIJTNWPHCHDH-UHFFFAOYSA-N
Compound name
1-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

360.20624 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21352 187.0
[M+Na]+ 383.19546 195.8
[M-H]- 359.19896 190.9
[M+NH4]+ 378.24006 196.4
[M+K]+ 399.16940 187.6
[M+H-H2O]+ 343.20350 173.7
[M+HCOO]- 405.20444 201.5
[M+CH3COO]- 419.22009 195.4
[M+Na-2H]- 381.18091 188.8
[M]+ 360.20569 187.4
[M]- 360.20679 187.4
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