CID 5271999

Chembl67164

Structural Information

Molecular Formula
C20H22N6
SMILES
CN1CCC[C@H]1CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C20H22N6/c1-24-12-6-7-15(24)13-25-18-10-4-2-8-16(18)21-20(25)14-26-19-11-5-3-9-17(19)22-23-26/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m0/s1
InChIKey
WOHHYIKAACTLGO-HNNXBMFYSA-N
Compound name
1-[[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

346.19058 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19786 182.5
[M+Na]+ 369.17980 193.5
[M-H]- 345.18330 188.2
[M+NH4]+ 364.22440 194.9
[M+K]+ 385.15374 186.4
[M+H-H2O]+ 329.18784 171.0
[M+HCOO]- 391.18878 199.9
[M+CH3COO]- 405.20443 192.6
[M+Na-2H]- 367.16525 181.7
[M]+ 346.19003 185.7
[M]- 346.19113 185.7
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.