CID 899323

Zln005

Structural Information

Molecular Formula
C17H18N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)
InChIKey
LQUNNCQSFFKSSK-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

143
Patents

250.147 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 160.2
[M+Na]+ 273.13622 170.0
[M-H]- 249.13972 164.6
[M+NH4]+ 268.18082 177.3
[M+K]+ 289.11016 163.8
[M+H-H2O]+ 233.14426 152.4
[M+HCOO]- 295.14520 179.9
[M+CH3COO]- 309.16085 172.4
[M+Na-2H]- 271.12167 166.7
[M]+ 250.14645 160.8
[M]- 250.14755 160.8
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