CID 71591420

Bromo-[1-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-2h-benzimidazol-2-yl]silver

Structural Information

Molecular Formula
C28H34N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CN(C3=CC=CC=C32)CC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C28H34N2O3/c1-28(2,3)22-13-11-20(12-14-22)17-29-19-30(24-10-8-7-9-23(24)29)18-21-15-25(31-4)27(33-6)26(16-21)32-5/h7-16H,17-19H2,1-6H3
InChIKey
ZRGHQLBYXRPXGX-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.25696 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.26424 216.7
[M+Na]+ 469.24618 223.8
[M-H]- 445.24968 224.8
[M+NH4]+ 464.29078 226.1
[M+K]+ 485.22012 218.2
[M+H-H2O]+ 429.25422 205.7
[M+HCOO]- 491.25516 232.5
[M+CH3COO]- 505.27081 235.4
[M+Na-2H]- 467.23163 215.3
[M]+ 446.25641 222.6
[M]- 446.25751 222.6
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.