CID 5272029

Chembl444316

Structural Information

Molecular Formula
C18H20N6
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C18H20N6/c1-22(2)11-12-23-17-10-6-5-9-16(17)19-18(23)13-24-20-14-7-3-4-8-15(14)21-24/h3-10H,11-13H2,1-2H3
InChIKey
HRVHPSULNQNCLK-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.17496 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.