CID 5272002

Chembl70037

Structural Information

Molecular Formula
C16H16N6
SMILES
C1=CC=C2C(=C1)N=C(N2CCN)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C16H16N6/c17-9-10-21-14-7-3-1-5-12(14)18-16(21)11-22-15-8-4-2-6-13(15)19-20-22/h1-8H,9-11,17H2
InChIKey
QYNKCWNHDCEAKJ-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

292.14365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15093 166.4
[M+Na]+ 315.13287 178.6
[M-H]- 291.13637 169.8
[M+NH4]+ 310.17747 180.5
[M+K]+ 331.10681 171.6
[M+H-H2O]+ 275.14091 155.9
[M+HCOO]- 337.14185 187.7
[M+CH3COO]- 351.15750 177.9
[M+Na-2H]- 313.11832 172.5
[M]+ 292.14310 170.4
[M]- 292.14420 170.4
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.