CID 5272037

Chembl304152

Structural Information

Molecular Formula
C19H21N5
SMILES
CC(C)CCN1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C19H21N5/c1-14(2)11-12-23-18-10-6-5-9-17(18)20-19(23)13-24-21-15-7-3-4-8-16(15)22-24/h3-10,14H,11-13H2,1-2H3
InChIKey
NMFRPGPHOVKHKW-UHFFFAOYSA-N
Compound name
2-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

319.1797 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18698 178.1
[M+Na]+ 342.16892 189.4
[M-H]- 318.17242 181.4
[M+NH4]+ 337.21352 191.5
[M+K]+ 358.14286 182.5
[M+H-H2O]+ 302.17696 167.2
[M+HCOO]- 364.17790 196.8
[M+CH3COO]- 378.19355 188.8
[M+Na-2H]- 340.15437 181.3
[M]+ 319.17915 183.8
[M]- 319.18025 183.8
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