CID 5271993

Chembl66506

Structural Information

Molecular Formula
C18H20N6
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C18H20N6/c1-22(2)11-12-23-16-9-5-3-7-14(16)19-18(23)13-24-17-10-6-4-8-15(17)20-21-24/h3-10H,11-13H2,1-2H3
InChIKey
WJMMGKVAOZZIMM-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

320.17496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18224 176.0
[M+Na]+ 343.16418 187.2
[M-H]- 319.16768 180.8
[M+NH4]+ 338.20878 189.7
[M+K]+ 359.13812 181.4
[M+H-H2O]+ 303.17222 164.7
[M+HCOO]- 365.17316 197.6
[M+CH3COO]- 379.18881 187.3
[M+Na-2H]- 341.14963 181.1
[M]+ 320.17441 182.6
[M]- 320.17551 182.6
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