CID 6481631

Schembl5859689

Structural Information

Molecular Formula
C20H16N6
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CN=CC=C3)CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C20H16N6/c1-3-9-18-16(7-1)22-20(25(18)13-15-6-5-11-21-12-15)14-26-19-10-4-2-8-17(19)23-24-26/h1-12H,13-14H2
InChIKey
PEDWJXQRQFAQAS-UHFFFAOYSA-N
Compound name
1-[[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.14365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15093 180.1
[M+Na]+ 363.13287 192.4
[M-H]- 339.13637 185.4
[M+NH4]+ 358.17747 190.5
[M+K]+ 379.10681 183.7
[M+H-H2O]+ 323.14091 167.5
[M+HCOO]- 385.14185 199.0
[M+CH3COO]- 399.15750 190.5
[M+Na-2H]- 361.11832 185.6
[M]+ 340.14310 184.3
[M]- 340.14420 184.3
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

patents stripe