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

literature stripe

Patent stripe

patents stripe