CID 7728394

871666-58-9

Structural Information

Molecular Formula
C20H24N2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C20H24N2/c1-14-10-18-19(11-15(14)2)22(13-21-18)12-16-6-8-17(9-7-16)20(3,4)5/h6-11,13H,12H2,1-5H3
InChIKey
BQYNIPRKHAMXMM-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-5,6-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 174.0
[M+Na]+ 315.183158 184.7
[M-H]- 291.186664 180.0
[M+NH4]+ 310.227763 190.6
[M+K]+ 331.157098 178.6
[M+H-H2O]+ 275.191200 165.7
[M+HCOO]- 337.192141 194.0
[M+CH3COO]- 351.207791 206.8
[M+Na-2H]- 313.168606 177.8
[M]+ 292.19339142 178.1
[M]- 292.19448858 178.1
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.