CID 6481624

Schembl5859703

Structural Information

Molecular Formula
C17H16N6O
SMILES
CNC(=O)CN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H16N6O/c1-18-17(24)11-22-14-8-4-2-6-12(14)19-16(22)10-23-15-9-5-3-7-13(15)20-21-23/h2-9H,10-11H2,1H3,(H,18,24)
InChIKey
KQWLYTKTLMRDQE-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.13855 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14583 173.6
[M+Na]+ 343.12777 185.1
[M-H]- 319.13127 177.6
[M+NH4]+ 338.17237 186.6
[M+K]+ 359.10171 178.8
[M+H-H2O]+ 303.13581 163.1
[M+HCOO]- 365.13675 194.6
[M+CH3COO]- 379.15240 184.7
[M+Na-2H]- 341.11322 179.2
[M]+ 320.13800 178.8
[M]- 320.13910 178.8
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.