CID 3010012

2,2'-(2,3-dimethylbutane-2,3-diyl)bis(5-methoxy-1h-benzimidazole)

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC(C)(C1=NC2=C(N1)C=C(C=C2)OC)C(C)(C)C3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C22H26N4O2/c1-21(2,19-23-15-9-7-13(27-5)11-17(15)25-19)22(3,4)20-24-16-10-8-14(28-6)12-18(16)26-20/h7-12H,1-6H3,(H,23,25)(H,24,26)
InChIKey
NJAMNTFHFHXIDC-UHFFFAOYSA-N
Compound name
6-methoxy-2-[3-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.20557 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 198.1
[M+Na]+ 401.19479 208.3
[M-H]- 377.19829 200.9
[M+NH4]+ 396.23939 209.4
[M+K]+ 417.16873 201.8
[M+H-H2O]+ 361.20283 189.8
[M+HCOO]- 423.20377 212.0
[M+CH3COO]- 437.21942 207.2
[M+Na-2H]- 399.18024 201.8
[M]+ 378.20502 203.5
[M]- 378.20612 203.5
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

No patent data available for this compound.