CID 5271996

Chembl304124

Structural Information

Molecular Formula
C20H22N6
SMILES
C1CCN(C1)CCN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C20H22N6/c1-3-9-18-16(7-1)21-20(25(18)14-13-24-11-5-6-12-24)15-26-19-10-4-2-8-17(19)22-23-26/h1-4,7-10H,5-6,11-15H2
InChIKey
ZKOYRTOQZOKLAN-UHFFFAOYSA-N
Compound name
1-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

346.19058 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19786 180.9
[M+Na]+ 369.17980 190.9
[M-H]- 345.18330 186.2
[M+NH4]+ 364.22440 192.9
[M+K]+ 385.15374 184.0
[M+H-H2O]+ 329.18784 168.9
[M+HCOO]- 391.18878 198.2
[M+CH3COO]- 405.20443 190.7
[M+Na-2H]- 367.16525 180.9
[M]+ 346.19003 183.6
[M]- 346.19113 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.