CID 3009154

[5-(2-benzoimidazol-1-yl-ethyl)-2h-[1,2,4]triazol-3-yl]-phenyl-amine

Structural Information

Molecular Formula
C17H16N6
SMILES
C1=CC=C(C=C1)NC2=NNC(=N2)CCN3C=NC4=CC=CC=C43
InChI
InChI=1S/C17H16N6/c1-2-6-13(7-3-1)19-17-20-16(21-22-17)10-11-23-12-18-14-8-4-5-9-15(14)23/h1-9,12H,10-11H2,(H2,19,20,21,22)
InChIKey
WPMMKPDZODUNGT-UHFFFAOYSA-N
Compound name
5-[2-(benzimidazol-1-yl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.14365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15093 167.0
[M+Na]+ 327.13287 176.3
[M-H]- 303.13637 171.1
[M+NH4]+ 322.17747 178.4
[M+K]+ 343.10681 168.9
[M+H-H2O]+ 287.14091 155.6
[M+HCOO]- 349.14185 187.3
[M+CH3COO]- 363.15750 177.3
[M+Na-2H]- 325.11832 172.7
[M]+ 304.14310 167.4
[M]- 304.14420 167.4
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.