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]+ 293.20122 174.0
[M+Na]+ 315.18316 184.7
[M-H]- 291.18666 180.0
[M+NH4]+ 310.22776 190.6
[M+K]+ 331.15710 178.6
[M+H-H2O]+ 275.19120 165.7
[M+HCOO]- 337.19214 194.0
[M+CH3COO]- 351.20779 206.8
[M+Na-2H]- 313.16861 177.8
[M]+ 292.19339 178.1
[M]- 292.19449 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.