CID 3822419

1-(1h-benzimidazol-2-ylmethyl)benzotriazole

Structural Information

Molecular Formula
C14H11N5
SMILES
C1=CC=C2C(=C1)NC(=N2)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C14H11N5/c1-2-6-11-10(5-1)15-14(16-11)9-19-13-8-4-3-7-12(13)17-18-19/h1-8H,9H2,(H,15,16)
InChIKey
CITBCYZJEBVHPS-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-ylmethyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

249.10144 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10872 154.1
[M+Na]+ 272.09066 166.8
[M-H]- 248.09416 156.5
[M+NH4]+ 267.13526 169.5
[M+K]+ 288.06460 159.8
[M+H-H2O]+ 232.09870 144.2
[M+HCOO]- 294.09964 174.2
[M+CH3COO]- 308.11529 166.3
[M+Na-2H]- 270.07611 161.6
[M]+ 249.10089 156.8
[M]- 249.10199 156.8
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.